1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

C24H24N2O2 — CID 4589544

IUPAC1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C24H24N2O2/c27-24(28)22-11-5-7-17-26(22)23(21-10-4-6-16-25-21)20-14-12-19(13-15-20)18-8-2-1-3-9-18/h1-4,6,8-10,12-16,22-23H,5,7,11,17H2,(H,27,28)
InChIKeyFBTUVXAEHIOJQF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.78
Rot. Bonds5

About 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 4589544) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
PubChem CID4589544
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C24H24N2O2/c27-24(28)22-11-5-7-17-26(22)23(21-10-4-6-16-25-21)20-14-12-19(13-15-20)18-8-2-1-3-9-18/h1-4,6,8-10,12-16,22-23H,5,7,11,17H2,(H,27,28)
InChIKeyFBTUVXAEHIOJQF-UHFFFAOYSA-N
XLogP4.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3911315
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3966351
1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 3979426
1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[(5-bromothiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4262493

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (CID 4589544) is 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(c1ccc(-c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is FBTUVXAEHIOJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(28)22-11-5-7-17-26(22)23(21-10-4-6-16-25-21)20-14-12-19(13-15-20)18-8-2-1-3-9-18/h1-4,6,8-10,12-16,22-23H,5,7,11,17H2,(H,27,28).
What are the key properties of 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4589544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).