1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid

C21H26N2O2 — CID 4595447

IUPAC1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(C(c2ccccn2)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)20(19-7-3-4-12-22-19)23-13-5-6-18(14-23)21(24)25/h3-4,7-12,15,18,20H,5-6,13-14H2,1-2H3,(H,24,25)
InChIKeyOSWOKLOLRMGOFL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.09
Rot. Bonds5

About 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid

1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid (PubChem CID 4595447) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
PubChem CID4595447
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(C(c2ccccn2)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)20(19-7-3-4-12-22-19)23-13-5-6-18(14-23)21(24)25/h3-4,7-12,15,18,20H,5-6,13-14H2,1-2H3,(H,24,25)
InChIKeyOSWOKLOLRMGOFL-UHFFFAOYSA-N
XLogP4.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233
1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4271286
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3494421
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-[1-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
CID 5013701
1-[(5-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4299177
1-[(3-methoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3887365
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3630163
1-[(5-bromo-2-ethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3535376
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid (CID 4595447) is 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid is CC(C)c1ccc(C(c2ccccn2)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The InChIKey is OSWOKLOLRMGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)20(19-7-3-4-12-22-19)23-13-5-6-18(14-23)21(24)25/h3-4,7-12,15,18,20H,5-6,13-14H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4595447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).