1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid

C11H13ClN2O2 — CID 16787048

IUPAC1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyYOSRZAOSDZTMAM-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.04
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 16787048) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID16787048
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyYOSRZAOSDZTMAM-UHFFFAOYSA-N
XLogP2.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703193
(3R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148072
(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 97317775
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
(2S,3aR,7aR)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152712
3-[(2S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidin-2-yl]propanoic acid
CID 124705270

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid (CID 16787048) is 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is YOSRZAOSDZTMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16787048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).