3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol

C30H34N2O — CID 166135511

IUPAC3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol
SMILESCC(C)N1CCN(c2ccc(/C(=C(\c3ccccc3)C3CC3)c3cccc(O)c3)cc2)CC1
InChIInChI=1S/C30H34N2O/c1-22(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-9-6-10-28(33)21-26)29(24-11-12-24)23-7-4-3-5-8-23/h3-10,13-16,21-22,24,33H,11-12,17-20H2,1-2H3/b30-29-
InChIKeyUOSZOXNYCXTPFZ-FLWNBWAVSA-N
MW438.62 g/mol
LogP6.29
Rot. Bonds6

About 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol

3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol (PubChem CID 166135511) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol
PubChem CID166135511
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol
SMILESCC(C)N1CCN(c2ccc(/C(=C(\c3ccccc3)C3CC3)c3cccc(O)c3)cc2)CC1
InChIInChI=1S/C30H34N2O/c1-22(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-9-6-10-28(33)21-26)29(24-11-12-24)23-7-4-3-5-8-23/h3-10,13-16,21-22,24,33H,11-12,17-20H2,1-2H3/b30-29-
InChIKeyUOSZOXNYCXTPFZ-FLWNBWAVSA-N
XLogP6.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.29
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

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
4-[(E)-3-methyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]but-1-enyl]phenol
CID 166135478
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
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
(1-cyclopropyl-2,2-diphenylethenyl)benzene
CID 11483343
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
3-[4-(1-propan-2-ylpiperidine-4-carbonyl)piperazin-1-yl]benzoic acid
CID 72851474
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol (CID 166135511) is 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol is CC(C)N1CCN(c2ccc(/C(=C(\c3ccccc3)C3CC3)c3cccc(O)c3)cc2)CC1.
What is the InChIKey of 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol?
The InChIKey is UOSZOXNYCXTPFZ-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H34N2O/c1-22(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-9-6-10-28(33)21-26)29(24-11-12-24)23-7-4-3-5-8-23/h3-10,13-16,21-22,24,33H,11-12,17-20H2,1-2H3/b30-29-.
What are the key properties of 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol?
3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol has a molecular weight of 438.62 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol is sourced from PubChem (CID 166135511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).