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CAS 119836-12-3 manufacturers and suppliers on PharmaCompass

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CAS 119836-12-3
Also known as: 1-(4-chlorophenyl)piperidin-4-ol, 119836-12-3, Schembl2158833, Zinc34415641, 4-hydroxy-(4-chlorophenyl)piperidine, Akos022304945
Molecular Formula
C11H14ClNO
Molecular Weight
211.69  g/mol
InChI Key
ZUBDFEMHDHJGCX-UHFFFAOYSA-N

1 2D Structure

CAS 119836-12-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-chlorophenyl)piperidin-4-ol
2.1.2 InChI
InChI=1S/C11H14ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8H2
2.1.3 InChI Key
ZUBDFEMHDHJGCX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1O)C2=CC=C(C=C2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1-(4-chlorophenyl)piperidin-4-ol

2. 119836-12-3

3. Schembl2158833

4. Zinc34415641

5. 4-hydroxy-(4-chlorophenyl)piperidine

6. Akos022304945

7. Db-061660

8. Ft-0710744

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 211.69 g/mol
Molecular Formula C11H14ClNO
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass211.0763918 g/mol
Monoisotopic Mass211.0763918 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity172
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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