1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid

C14H18ClNO3 — CID 82215837

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CC(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-3-10(4-6-12)13(17)9-16-7-1-2-11(8-16)14(18)19/h3-6,11,13,17H,1-2,7-9H2,(H,18,19)
InChIKeyOGDMMBALMLKHTF-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid

1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid (PubChem CID 82215837) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
PubChem CID82215837
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CC(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-3-10(4-6-12)13(17)9-16-7-1-2-11(8-16)14(18)19/h3-6,11,13,17H,1-2,7-9H2,(H,18,19)
InChIKeyOGDMMBALMLKHTF-UHFFFAOYSA-N
XLogP2.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
(3S)-1-[2-[4-[5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 50924124
(3R)-1-[2-[bis(4-chlorophenyl)methoxy]ethyl]piperidine-3-carboxylic acid
CID 10319258
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
(3S)-1-[2-[4-[5-[2-[1-(4-chlorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 66692861
azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid (CID 82215837) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CC(O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid?
The InChIKey is OGDMMBALMLKHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-5-3-10(4-6-12)13(17)9-16-7-1-2-11(8-16)14(18)19/h3-6,11,13,17H,1-2,7-9H2,(H,18,19).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid has a molecular weight of 283.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82215837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).