1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol

C27H29NO — CID 18423515

IUPAC1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol
SMILESOC1CCN(CC2CC2c2ccccc2)C(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C27H29NO/c29-25-15-16-28(19-24-17-26(24)22-9-5-2-6-10-22)27(18-25)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24-27,29H,15-19H2
InChIKeyLZNMOELAXJQUMH-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.66
Rot. Bonds5

About 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol

1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol (PubChem CID 18423515) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol
PubChem CID18423515
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol
SMILESOC1CCN(CC2CC2c2ccccc2)C(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C27H29NO/c29-25-15-16-28(19-24-17-26(24)22-9-5-2-6-10-22)27(18-25)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24-27,29H,15-19H2
InChIKeyLZNMOELAXJQUMH-UHFFFAOYSA-N
XLogP5.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol?
The IUPAC name of 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol (CID 18423515) is 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol is OC1CCN(CC2CC2c2ccccc2)C(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol?
The InChIKey is LZNMOELAXJQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c29-25-15-16-28(19-24-17-26(24)22-9-5-2-6-10-22)27(18-25)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24-27,29H,15-19H2.
What are the key properties of 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol?
1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol has a molecular weight of 383.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol is sourced from PubChem (CID 18423515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).