1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid

C14H19ClN2O2 — CID 146177851

IUPAC1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(C)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)11-7-12(15)13(16-8-11)17-5-3-10(4-6-17)14(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)
InChIKeyGTBXFSBTUXUVGC-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid

1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 146177851) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID146177851
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(C)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-9(2)11-7-12(15)13(16-8-11)17-5-3-10(4-6-17)14(18)19/h7-10H,3-6H2,1-2H3,(H,18,19)
InChIKeyGTBXFSBTUXUVGC-UHFFFAOYSA-N
XLogP3.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
CID 59019495
1-(3,5-dichloro-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992706
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 18801422
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 10200562
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid (CID 146177851) is 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid is CC(C)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is GTBXFSBTUXUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)11-7-12(15)13(16-8-11)17-5-3-10(4-6-17)14(18)19/h7-10H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid?
1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-propan-2-yl-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 146177851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).