4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline

C31H38N4 — CID 44587383

IUPAC4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C31H38N4/c1-32(2)27-17-15-26(16-18-27)10-9-20-34-24-22-33(23-25-34)19-7-8-21-35-30-13-5-3-11-28(30)29-12-4-6-14-31(29)35/h3-6,9-18H,7-8,19-25H2,1-2H3/b10-9+
InChIKeyJJLQAIXDBJWWJZ-MDZDMXLPSA-N
MW466.67 g/mol
LogP5.97
Rot. Bonds9

About 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline

4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline (PubChem CID 44587383) has the molecular formula C31H38N4 and a molecular weight of 466.67 g/mol. Its IUPAC name is 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
PubChem CID44587383
Molecular FormulaC31H38N4
Molecular Weight466.67 g/mol
Exact Mass466.31
IUPAC Name4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C31H38N4/c1-32(2)27-17-15-26(16-18-27)10-9-20-34-24-22-33(23-25-34)19-7-8-21-35-30-13-5-3-11-28(30)29-12-4-6-14-31(29)35/h3-6,9-18H,7-8,19-25H2,1-2H3/b10-9+
InChIKeyJJLQAIXDBJWWJZ-MDZDMXLPSA-N
XLogP5.97
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline 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

N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
N-[[3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108860
4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
CID 2845639
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110655404
4-(4-bromophenyl)-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
CID 30981687

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline (CID 44587383) is 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is JJLQAIXDBJWWJZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C31H38N4/c1-32(2)27-17-15-26(16-18-27)10-9-20-34-24-22-33(23-25-34)19-7-8-21-35-30-13-5-3-11-28(30)29-12-4-6-14-31(29)35/h3-6,9-18H,7-8,19-25H2,1-2H3/b10-9+.
What are the key properties of 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 466.67 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 44587383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).