Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 1189499-82-8
PharmaCompass
  • Chemistry
CAS 1189499-82-8
Also known as: 1189499-82-8, 1-methyl-4-hydroxypiperidine-d4, N-methyl-4-piperidinol-d4, 1-methyl-4-piperidinol-d4, 4-hydroxy-n-methylpiperidine-d4, Ctk8f3391
Molecular Formula
C6H13NO
Molecular Weight
119.2  g/mol
InChI Key
BAUWRHPMUVYFOD-CQOLUAMGSA-N

1 2D Structure

CAS 1189499-82-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2,6,6-tetradeuterio-1-methylpiperidin-4-ol
2.1.2 InChI
InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3/i4D2,5D2
2.1.3 InChI Key
BAUWRHPMUVYFOD-CQOLUAMGSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)O
2.1.5 Isomeric SMILES
[2H]C1(CC(CC(N1C)([2H])[2H])O)[2H]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1189499-82-8

2. 1-methyl-4-hydroxypiperidine-d4

3. N-methyl-4-piperidinol-d4

4. 1-methyl-4-piperidinol-d4

5. 4-hydroxy-n-methylpiperidine-d4

6. Ctk8f3391

7. N-methyl-4-hydroxypiperidine-d4

8. 4-hydroxy-1-methylpiperidine-d4

9. Dtxsid70676034

10. Nsc 60705-d4

11. Akos030254527

12. Ft-0671842

13. J-003949

2.3 Create Date
2010-07-26
3 Chemical and Physical Properties
Molecular Weight 119.2 g/mol
Molecular Formula C6H13NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.125 g/mol
Monoisotopic Mass119.125 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us