1-[(E)-but-2-enyl]-4-phenylpiperidine

C15H21N — CID 22888236

IUPAC1-[(E)-but-2-enyl]-4-phenylpiperidine
SMILESC/C=C/CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h2-8,15H,9-13H2,1H3/b3-2+
InChIKeyLSEILAURWYXAII-NSCUHMNNSA-N
MW215.34 g/mol
LogP3.44
Rot. Bonds3

About 1-[(E)-but-2-enyl]-4-phenylpiperidine

1-[(E)-but-2-enyl]-4-phenylpiperidine (PubChem CID 22888236) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-phenylpiperidine
PubChem CID22888236
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-[(E)-but-2-enyl]-4-phenylpiperidine
SMILESC/C=C/CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h2-8,15H,9-13H2,1H3/b3-2+
InChIKeyLSEILAURWYXAII-NSCUHMNNSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-enyl]-4-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-phenylpiperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-phenylpiperidine (CID 22888236) is 1-[(E)-but-2-enyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-phenylpiperidine is C/C=C/CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-phenylpiperidine?
The InChIKey is LSEILAURWYXAII-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h2-8,15H,9-13H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-4-phenylpiperidine?
1-[(E)-but-2-enyl]-4-phenylpiperidine has a molecular weight of 215.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-phenylpiperidine is sourced from PubChem (CID 22888236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).