(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol

C30H36N2O — CID 138492979

IUPAC(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol
SMILESCCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
InChIKeyYPWHCQNHYZKJHW-FLWNBWAVSA-N
MW440.63 g/mol
LogP5.87
Rot. Bonds8

About (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol

(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol (PubChem CID 138492979) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol
PubChem CID138492979
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol
SMILESCCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
InChIKeyYPWHCQNHYZKJHW-FLWNBWAVSA-N
XLogP5.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenethyl alcohol, 4-piperidino-
CID 3043079
Phenethyl alcohol, beta-methyl-4-piperidino-
CID 215989
(S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 25032702
(R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 44580764
(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol;dihydrochloride
CID 155513082
(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;dihydrochloride
CID 155513135
(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;dihydrochloride
CID 155516369
(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride
CID 155516697
(Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
CID 155518873
(E)-5-(4-bromophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
CID 155528850
(E)-5-(4-nitrophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;dihydrochloride
CID 155533752
(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
CID 155535796

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol?
The IUPAC name of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol (CID 138492979) is (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol?
The canonical SMILES for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol is CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol?
The InChIKey is YPWHCQNHYZKJHW-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-.
What are the key properties of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol?
(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol has a molecular weight of 440.63 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 138492979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).