1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid

C15H22N2O2 — CID 5233551

IUPAC1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1ccc(C)cn1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H22N2O2/c1-3-13(12-8-7-11(2)10-16-12)17-9-5-4-6-14(17)15(18)19/h7-8,10,13-14H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyCIFPFUPJTUJDOQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid

1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid (PubChem CID 5233551) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
PubChem CID5233551
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
SMILESCCC(c1ccc(C)cn1)N1CCCCC1C(=O)O
InChIInChI=1S/C15H22N2O2/c1-3-13(12-8-7-11(2)10-16-12)17-9-5-4-6-14(17)15(18)19/h7-8,10,13-14H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyCIFPFUPJTUJDOQ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3350089
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 5227467
1-[(2-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4527741
1-[(5-bromo-2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3899161
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879
1-[1-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3658896
1-[(5-methyl-2-pyridinyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3966294
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4599942
1-[1-(4-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 65069857
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid (CID 5233551) is 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid is CCC(c1ccc(C)cn1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid?
The InChIKey is CIFPFUPJTUJDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(12-8-7-11(2)10-16-12)17-9-5-4-6-14(17)15(18)19/h7-8,10,13-14H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid?
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).