1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid

C17H26N2O2 — CID 3363485

IUPAC1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1cccc(C)n1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-8-16(15-7-5-6-13(2)18-15)19-11-9-14(10-12-19)17(20)21/h5-7,14,16H,3-4,8-12H2,1-2H3,(H,20,21)
InChIKeyIEJUYKCUCWPIJE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.42
Rot. Bonds6

About 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid

1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid (PubChem CID 3363485) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
PubChem CID3363485
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1cccc(C)n1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-8-16(15-7-5-6-13(2)18-15)19-11-9-14(10-12-19)17(20)21/h5-7,14,16H,3-4,8-12H2,1-2H3,(H,20,21)
InChIKeyIEJUYKCUCWPIJE-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151
1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
CID 3908536
1-[(4-fluorophenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3961912
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid (CID 3363485) is 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid is CCCCC(c1cccc(C)n1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid?
The InChIKey is IEJUYKCUCWPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-8-16(15-7-5-6-13(2)18-15)19-11-9-14(10-12-19)17(20)21/h5-7,14,16H,3-4,8-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid?
1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 3.42, 6 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)pentyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3363485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).