1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine

C21H24N2 — CID 164679251

IUPAC1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine
SMILESCN1CCN(/C(=C/C=C/c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2/c1-22-15-17-23(18-16-22)21(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-14H,15-18H2,1H3/b11-8+,21-14+
InChIKeyKQVSNBGOXCTNLR-DYTMQZIQSA-N
MW304.44 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine

1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine (PubChem CID 164679251) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine
PubChem CID164679251
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine
SMILESCN1CCN(/C(=C/C=C/c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H24N2/c1-22-15-17-23(18-16-22)21(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-14H,15-18H2,1H3/b11-8+,21-14+
InChIKeyKQVSNBGOXCTNLR-DYTMQZIQSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
Phencyclidine
CID 6468
Flunarizine
CID 941361
Benzphetamine
CID 5311017
Bamipine
CID 72075
Phencyclidine Hydrochloride
CID 9795678
Cyclizine Hydrochloride
CID 6420019
Benzfetamine
CID 2341
1,4-Dibenzylpiperazine
CID 200601
Benzphetamine Hydrochloride
CID 11558159
Benzhydrylpiperazine
CID 70048

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine (CID 164679251) is 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine is CN1CCN(/C(=C/C=C/c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine?
The InChIKey is KQVSNBGOXCTNLR-DYTMQZIQSA-N. The full InChI is InChI=1S/C21H24N2/c1-22-15-17-23(18-16-22)21(20-12-6-3-7-13-20)14-8-11-19-9-4-2-5-10-19/h2-14H,15-18H2,1H3/b11-8+,21-14+.
What are the key properties of 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine?
1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine has a molecular weight of 304.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-1,4-diphenylbuta-1,3-dienyl]-4-methylpiperazine is sourced from PubChem (CID 164679251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).