1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid

C19H22N2O2 — CID 4013318

IUPAC1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccc(C(c2cccnc2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-2-6-15(11-14)18(16-7-3-9-20-12-16)21-10-4-8-17(13-21)19(22)23/h2-3,5-7,9,11-12,17-18H,4,8,10,13H2,1H3,(H,22,23)
InChIKeyQYCZKBHAIPQREK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds4

About 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid

1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid (PubChem CID 4013318) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
PubChem CID4013318
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccc(C(c2cccnc2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-2-6-15(11-14)18(16-7-3-9-20-12-16)21-10-4-8-17(13-21)19(22)23/h2-3,5-7,9,11-12,17-18H,4,8,10,13H2,1H3,(H,22,23)
InChIKeyQYCZKBHAIPQREK-UHFFFAOYSA-N
XLogP3.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[(4-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3920977
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 3632610
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4014045
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
1-[1-benzothiophen-3-yl-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3952628
1-[(2,4-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3969583

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid (CID 4013318) is 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid is Cc1cccc(C(c2cccnc2)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid?
The InChIKey is QYCZKBHAIPQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-2-6-15(11-14)18(16-7-3-9-20-12-16)21-10-4-8-17(13-21)19(22)23/h2-3,5-7,9,11-12,17-18H,4,8,10,13H2,1H3,(H,22,23).
What are the key properties of 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid?
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4013318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).