1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid

C17H23NO2 — CID 103565171

IUPAC1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C(=O)O)(c3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO2/c1-13-11-15(12-13)18-9-7-17(8-10-18,16(19)20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,20)
InChIKeyFGVYAYMPXFITHK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.90
Rot. Bonds3

About 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid

1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 103565171) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID103565171
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C(=O)O)(c3ccccc3)CC2)C1
InChIInChI=1S/C17H23NO2/c1-13-11-15(12-13)18-9-7-17(8-10-18,16(19)20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,20)
InChIKeyFGVYAYMPXFITHK-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 24776411
4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 24799142
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidine-1-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513152
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
1-[2-benzyl-1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-phenylpiperidine-4-carboxylic acid
CID 18319943
1-(5-methyloxolane-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512794
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid (CID 103565171) is 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid is CC1CC(N2CCC(C(=O)O)(c3ccccc3)CC2)C1.
What is the InChIKey of 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is FGVYAYMPXFITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-11-15(12-13)18-9-7-17(8-10-18,16(19)20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,20).
What are the key properties of 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid?
1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 103565171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).