3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid

C15H22N2O2 — CID 81320286

IUPAC3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)nc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-14(16-10-12)11-17-8-6-13(7-9-17)3-5-15(18)19/h2,4,10,13H,3,5-9,11H2,1H3,(H,18,19)
InChIKeyLIUKBPRLTJCSPV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 81320286) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
PubChem CID81320286
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)nc1
InChIInChI=1S/C15H22N2O2/c1-12-2-4-14(16-10-12)11-17-8-6-13(7-9-17)3-5-15(18)19/h2,4,10,13H,3,5-9,11H2,1H3,(H,18,19)
InChIKeyLIUKBPRLTJCSPV-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 64772396
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 81319065
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921290
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114798297
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid (CID 81320286) is 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid is Cc1ccc(CN2CCC(CCC(=O)O)CC2)nc1.
What is the InChIKey of 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is LIUKBPRLTJCSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-2-4-14(16-10-12)11-17-8-6-13(7-9-17)3-5-15(18)19/h2,4,10,13H,3,5-9,11H2,1H3,(H,18,19).
What are the key properties of 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 81320286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).