1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol

C27H29NO2 — CID 57080555

IUPAC1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=C(c2ccccc2)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C27H29NO2/c1-30-25-16-12-23(13-17-25)27(29)20-26(21-8-4-2-5-9-21)22-10-14-24(15-11-22)28-18-6-3-7-19-28/h2,4-5,8-17,20,27,29H,3,6-7,18-19H2,1H3
InChIKeyZQKDTJGRRNOMLO-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.85
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol

1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol (PubChem CID 57080555) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
PubChem CID57080555
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=C(c2ccccc2)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C27H29NO2/c1-30-25-16-12-23(13-17-25)27(29)20-26(21-8-4-2-5-9-21)22-10-14-24(15-11-22)28-18-6-3-7-19-28/h2,4-5,8-17,20,27,29H,3,6-7,18-19H2,1H3
InChIKeyZQKDTJGRRNOMLO-UHFFFAOYSA-N
XLogP5.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol (CID 57080555) is 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol is COc1ccc(C(O)C=C(c2ccccc2)c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol?
The InChIKey is ZQKDTJGRRNOMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-30-25-16-12-23(13-17-25)27(29)20-26(21-8-4-2-5-9-21)22-10-14-24(15-11-22)28-18-6-3-7-19-28/h2,4-5,8-17,20,27,29H,3,6-7,18-19H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol?
1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol has a molecular weight of 399.53 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 57080555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).