1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine

C16H23N — CID 6445393

IUPAC1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
SMILESCc1ccc(C/C=C/CN2CCCCC2)cc1
InChIInChI=1S/C16H23N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h3,6,8-11H,2,4-5,7,12-14H2,1H3/b6-3+
InChIKeyFQSVZPYSHKMPHO-ZZXKWVIFSA-N
MW229.37 g/mol
LogP3.58
Rot. Bonds4

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

1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine (PubChem CID 6445393) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
PubChem CID6445393
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
SMILESCc1ccc(C/C=C/CN2CCCCC2)cc1
InChIInChI=1S/C16H23N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h3,6,8-11H,2,4-5,7,12-14H2,1H3/b6-3+
InChIKeyFQSVZPYSHKMPHO-ZZXKWVIFSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine?
The IUPAC name of 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine (CID 6445393) is 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine is Cc1ccc(C/C=C/CN2CCCCC2)cc1.
What is the InChIKey of 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine?
The InChIKey is FQSVZPYSHKMPHO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H23N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h3,6,8-11H,2,4-5,7,12-14H2,1H3/b6-3+.
What are the key properties of 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine?
1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine has a molecular weight of 229.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine is sourced from PubChem (CID 6445393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).