4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid

C17H25NO2 — CID 79008198

IUPAC4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
SMILESCCC(Cc1ccccc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-3-15(13-14-7-5-4-6-8-14)18-11-9-17(2,10-12-18)16(19)20/h4-8,15H,3,9-13H2,1-2H3,(H,19,20)
InChIKeyFEOQXEPQUOWSLW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.19
Rot. Bonds5

About 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid

4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid (PubChem CID 79008198) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
PubChem CID79008198
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
SMILESCCC(Cc1ccccc1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-3-15(13-14-7-5-4-6-8-14)18-11-9-17(2,10-12-18)16(19)20/h4-8,15H,3,9-13H2,1-2H3,(H,19,20)
InChIKeyFEOQXEPQUOWSLW-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984643
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 83079586
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
1-[1-(2-bromophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064952
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
2-methyl-1-(1-phenylbutan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383409

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid (CID 79008198) is 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid is CCC(Cc1ccccc1)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is FEOQXEPQUOWSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15(13-14-7-5-4-6-8-14)18-11-9-17(2,10-12-18)16(19)20/h4-8,15H,3,9-13H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid?
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79008198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).