1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid

C16H24N2O2 — CID 81318757

IUPAC1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C16H24N2O2/c1-3-7-16(15(19)20)8-4-9-18(12-16)11-14-6-5-13(2)10-17-14/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyCJRGDYDQRSWIJK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds5

About 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid

1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 81318757) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID81318757
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1
InChIInChI=1S/C16H24N2O2/c1-3-7-16(15(19)20)8-4-9-18(12-16)11-14-6-5-13(2)10-17-14/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,19,20)
InChIKeyCJRGDYDQRSWIJK-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651
1-[(2-chloro-4-methylphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 106865244
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 83094991
1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 65068460
1-[(5-bromo-3-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 104800382
1-[(5-bromothiophen-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55166663
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-[(2,4-dichlorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140602

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid (CID 81318757) is 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(Cc2ccc(C)cn2)C1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is CJRGDYDQRSWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-7-16(15(19)20)8-4-9-18(12-16)11-14-6-5-13(2)10-17-14/h5-6,10H,3-4,7-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid?
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 81318757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).