1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine

C23H30N2O — CID 31125300

IUPAC1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1ccc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cc1
InChIInChI=1S/C23H30N2O/c1-18-5-7-19(8-6-18)20-3-2-4-23(17-20)25-13-9-21(10-14-25)24-22-11-15-26-16-12-22/h2-8,17,21-22,24H,9-16H2,1H3
InChIKeyPLOMNCXLWVXMDB-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.40
Rot. Bonds4

About 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine

1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 31125300) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID31125300
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1ccc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cc1
InChIInChI=1S/C23H30N2O/c1-18-5-7-19(8-6-18)20-3-2-4-23(17-20)25-13-9-21(10-14-25)24-22-11-15-26-16-12-22/h2-8,17,21-22,24H,9-16H2,1H3
InChIKeyPLOMNCXLWVXMDB-UHFFFAOYSA-N
XLogP4.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine (CID 31125300) is 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine is Cc1ccc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is PLOMNCXLWVXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-5-7-19(8-6-18)20-3-2-4-23(17-20)25-13-9-21(10-14-25)24-22-11-15-26-16-12-22/h2-8,17,21-22,24H,9-16H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)phenyl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 31125300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).