1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid

C15H22N2O2 — CID 4223664

IUPAC1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(C)cn1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-14(13-5-4-11(2)10-16-13)17-8-6-12(7-9-17)15(18)19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyMBWSTCRBXZDRPU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid

1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid (PubChem CID 4223664) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
PubChem CID4223664
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
SMILESCCC(c1ccc(C)cn1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-14(13-5-4-11(2)10-16-13)17-8-6-12(7-9-17)15(18)19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyMBWSTCRBXZDRPU-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-(5-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 5233551
1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3455065
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3350089

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid (CID 4223664) is 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid is CCC(c1ccc(C)cn1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
The InChIKey is MBWSTCRBXZDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-14(13-5-4-11(2)10-16-13)17-8-6-12(7-9-17)15(18)19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid?
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-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-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4223664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).