1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid

C15H22N2O2 — CID 4677151

IUPAC1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
SMILESCCC(c1cccc(C)n1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H22N2O2/c1-3-14(13-8-4-6-11(2)16-13)17-9-5-7-12(10-17)15(18)19/h4,6,8,12,14H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyMIESYECTKVTBGQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid

1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid (PubChem CID 4677151) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
PubChem CID4677151
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
SMILESCCC(c1cccc(C)n1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H22N2O2/c1-3-14(13-8-4-6-11(2)16-13)17-9-5-7-12(10-17)15(18)19/h4,6,8,12,14H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyMIESYECTKVTBGQ-UHFFFAOYSA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
CID 3363485
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3969691
1-[(2,4-difluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3579237
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4285647
1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
CID 3543654
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274
1-[(5-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4299177
1-[1-(2,3-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid
CID 3979028
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3494421

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid (CID 4677151) is 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid is CCC(c1cccc(C)n1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid?
The InChIKey is MIESYECTKVTBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-14(13-8-4-6-11(2)16-13)17-9-5-7-12(10-17)15(18)19/h4,6,8,12,14H,3,5,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid?
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4677151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).