4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

C30H38N2O2 — CID 167028378

IUPAC4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
SMILESCC(C)N1CCN(c2cccc(/C(=C(/CCCO)C3=CCCC=C3)c3ccc(O)cc3)c2)CC1
InChIInChI=1S/C30H38N2O2/c1-23(2)31-17-19-32(20-18-31)27-11-6-10-26(22-27)30(25-13-15-28(34)16-14-25)29(12-7-21-33)24-8-4-3-5-9-24/h4,6,8-11,13-16,22-23,33-34H,3,5,7,12,17-21H2,1-2H3/b30-29-
InChIKeyQWIKCQSWVABSAI-FLWNBWAVSA-N
MW458.65 g/mol
LogP5.77
Rot. Bonds8

About 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol (PubChem CID 167028378) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
PubChem CID167028378
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
SMILESCC(C)N1CCN(c2cccc(/C(=C(/CCCO)C3=CCCC=C3)c3ccc(O)cc3)c2)CC1
InChIInChI=1S/C30H38N2O2/c1-23(2)31-17-19-32(20-18-31)27-11-6-10-26(22-27)30(25-13-15-28(34)16-14-25)29(12-7-21-33)24-8-4-3-5-9-24/h4,6,8-11,13-16,22-23,33-34H,3,5,7,12,17-21H2,1-2H3/b30-29-
InChIKeyQWIKCQSWVABSAI-FLWNBWAVSA-N
XLogP5.77
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol 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

3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
3-[(1E,3E,5Z)-2-(3-hydroxypropyl)-3-methyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]hepta-1,3,5-trienyl]phenol
CID 138614640
5-(4-nitrophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol
CID 176732336
3-[(E)-2-cyclohexa-1,5-dien-1-yl-1-[4-(1-ethylpiperidin-4-yl)cyclohexa-1,3-dien-1-yl]-5-hydroxypent-1-enyl]phenol
CID 138493223
(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
CID 159115330
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
4-[(E)-3-methyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]but-1-enyl]phenol
CID 166135478
4-[(E)-5-hydroxy-1-(4-morpholin-4-ylphenyl)-2-phenylpent-1-enyl]phenol;hydrochloride
CID 162664318
4-[(E)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;dihydrochloride
CID 155567147
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
CID 155544192
4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117469350
4-[2-(2,4-difluorophenyl)-5-hydroxy-1-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-1-enyl]phenol
CID 176732457

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol (CID 167028378) is 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol is CC(C)N1CCN(c2cccc(/C(=C(/CCCO)C3=CCCC=C3)c3ccc(O)cc3)c2)CC1.
What is the InChIKey of 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The InChIKey is QWIKCQSWVABSAI-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-23(2)31-17-19-32(20-18-31)27-11-6-10-26(22-27)30(25-13-15-28(34)16-14-25)29(12-7-21-33)24-8-4-3-5-9-24/h4,6,8-11,13-16,22-23,33-34H,3,5,7,12,17-21H2,1-2H3/b30-29-.
What are the key properties of 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol has a molecular weight of 458.65 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-cyclohexa-1,5-dien-1-yl-5-hydroxy-1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 167028378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).