1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid

C17H26N2O2 — CID 4637920

IUPAC1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1ccncc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C17H26N2O2/c1-3-4-7-15(14-9-10-18-12-13(14)2)19-11-6-5-8-16(19)17(20)21/h9-10,12,15-16H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyGCJKWIYCPPCPKW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.56
Rot. Bonds6

About 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid

1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid (PubChem CID 4637920) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
PubChem CID4637920
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
SMILESCCCCC(c1ccncc1C)N1CCCCC1C(=O)O
InChIInChI=1S/C17H26N2O2/c1-3-4-7-15(14-9-10-18-12-13(14)2)19-11-6-5-8-16(19)17(20)21/h9-10,12,15-16H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyGCJKWIYCPPCPKW-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid (CID 4637920) is 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid is CCCCC(c1ccncc1C)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid?
The InChIKey is GCJKWIYCPPCPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-7-15(14-9-10-18-12-13(14)2)19-11-6-5-8-16(19)17(20)21/h9-10,12,15-16H,3-8,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid?
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4637920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).