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

C30H35NO — CID 138493126

IUPAC(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C30H35NO/c1-23-10-12-27(13-11-23)30(29(9-6-22-32)26-7-4-3-5-8-26)28-16-14-24(15-17-28)25-18-20-31(2)21-19-25/h3-5,7-8,10-17,25,32H,6,9,18-22H2,1-2H3/b30-29-
InChIKeyKZVPGDJQWZLXGL-FLWNBWAVSA-N
MW425.62 g/mol
LogP6.54
Rot. Bonds7

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

(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol (PubChem CID 138493126) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
PubChem CID138493126
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C30H35NO/c1-23-10-12-27(13-11-23)30(29(9-6-22-32)26-7-4-3-5-8-26)28-16-14-24(15-17-28)25-18-20-31(2)21-19-25/h3-5,7-8,10-17,25,32H,6,9,18-22H2,1-2H3/b30-29-
InChIKeyKZVPGDJQWZLXGL-FLWNBWAVSA-N
XLogP6.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The IUPAC name of (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol (CID 138493126) is (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The canonical SMILES for (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol is Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C)CC3)cc2)cc1.
What is the InChIKey of (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The InChIKey is KZVPGDJQWZLXGL-FLWNBWAVSA-N. The full InChI is InChI=1S/C30H35NO/c1-23-10-12-27(13-11-23)30(29(9-6-22-32)26-7-4-3-5-8-26)28-16-14-24(15-17-28)25-18-20-31(2)21-19-25/h3-5,7-8,10-17,25,32H,6,9,18-22H2,1-2H3/b30-29-.
What are the key properties of (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol has a molecular weight of 425.62 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 138493126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).