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Overview

Client Email Product
1-(3-Methoxypropyl)Piperidin-4-One
PharmaCompass
1-(3-Methoxypropyl)Piperidin-4-One
Also known as: 16771-85-0, 4-piperidinone, 1-(3-methoxypropyl)-, Schembl2968569, 1-(3-methoxypropyl)4piperidone, Qfwbxlyvhomann-uhfffaoysa-n, L-(3-methoxypropyl)-4-piperidone
Molecular Formula
C9H17NO2
Molecular Weight
171.24  g/mol
InChI Key
QFWBXLYVHOMANN-UHFFFAOYSA-N

1 2D Structure

1-(3-Methoxypropyl)Piperidin-4-One

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-methoxypropyl)piperidin-4-one
2.1.2 InChI
InChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
2.1.3 InChI Key
QFWBXLYVHOMANN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCCN1CCC(=O)CC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 16771-85-0

2. 4-piperidinone, 1-(3-methoxypropyl)-

3. Schembl2968569

4. 1-(3-methoxypropyl)4piperidone

5. Qfwbxlyvhomann-uhfffaoysa-n

6. L-(3-methoxypropyl)-4-piperidone

7. 1-(3-methoxypropyl)-4-piperidone

8. Mfcd11104530

9. Zinc34974468

10. Akos009330712

11. Am85325

12. Ak201106

13. Bbv-32048214

14. He036792

15. Kb-08796

16. 4-piperidinone 1-(3-methoxypropyl)-

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 171.24 g/mol
Molecular Formula C9H17NO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass171.126 g/mol
Monoisotopic Mass171.126 g/mol
Topological Polar Surface Area29.5 A^2
Heavy Atom Count12
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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