2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine

C21H29N — CID 91284313

IUPAC2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine
SMILESc1ccc(C2CCNC(C3CCCC(=C4CCC4)C3)C2)cc1
InChIInChI=1S/C21H29N/c1-2-6-16(7-3-1)19-12-13-22-21(15-19)20-11-5-10-18(14-20)17-8-4-9-17/h1-3,6-7,19-22H,4-5,8-15H2
InChIKeyAEZVHDHCUKFSFT-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.19
Rot. Bonds2

About 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine

2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine (PubChem CID 91284313) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine.

Molecular Properties

Compound Name2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine
PubChem CID91284313
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine
SMILESc1ccc(C2CCNC(C3CCCC(=C4CCC4)C3)C2)cc1
InChIInChI=1S/C21H29N/c1-2-6-16(7-3-1)19-12-13-22-21(15-19)20-11-5-10-18(14-20)17-8-4-9-17/h1-3,6-7,19-22H,4-5,8-15H2
InChIKeyAEZVHDHCUKFSFT-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine?
The IUPAC name of 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine (CID 91284313) is 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine.
What is the SMILES notation for 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine?
The canonical SMILES for 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine is c1ccc(C2CCNC(C3CCCC(=C4CCC4)C3)C2)cc1.
What is the InChIKey of 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine?
The InChIKey is AEZVHDHCUKFSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-2-6-16(7-3-1)19-12-13-22-21(15-19)20-11-5-10-18(14-20)17-8-4-9-17/h1-3,6-7,19-22H,4-5,8-15H2.
What are the key properties of 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine?
2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine has a molecular weight of 295.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylidenecyclohexyl)-4-phenylpiperidine is sourced from PubChem (CID 91284313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).