(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid

C14H18ClNO3 — CID 93048495

IUPAC(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-8-16-7-3-4-11(10-16)14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m0/s1
InChIKeyGPUDMCZPUWXVMJ-NSHDSACASA-N
MW283.75 g/mol
LogP2.52
Rot. Bonds5

About (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid

(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 93048495) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID93048495
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(CCOc2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-8-16-7-3-4-11(10-16)14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m0/s1
InChIKeyGPUDMCZPUWXVMJ-NSHDSACASA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid
CID 82163433
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[2-[[(2-chlorophenyl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid
CID 54307891
1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072550
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid (CID 93048495) is (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(CCOc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid?
The InChIKey is GPUDMCZPUWXVMJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-8-16-7-3-4-11(10-16)14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 283.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 93048495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).