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

C22H27FN2O — CID 45228315

IUPAC1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine
SMILESFc1cccc(-c2cccc(N3CCC(NC4CCCOC4)CC3)c2)c1
InChIInChI=1S/C22H27FN2O/c23-19-6-1-4-17(14-19)18-5-2-8-22(15-18)25-11-9-20(10-12-25)24-21-7-3-13-26-16-21/h1-2,4-6,8,14-15,20-21,24H,3,7,9-13,16H2
InChIKeyBWOZKXYOBKZRMY-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.23
Rot. Bonds4

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

1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine (PubChem CID 45228315) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine
PubChem CID45228315
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine
SMILESFc1cccc(-c2cccc(N3CCC(NC4CCCOC4)CC3)c2)c1
InChIInChI=1S/C22H27FN2O/c23-19-6-1-4-17(14-19)18-5-2-8-22(15-18)25-11-9-20(10-12-25)24-21-7-3-13-26-16-21/h1-2,4-6,8,14-15,20-21,24H,3,7,9-13,16H2
InChIKeyBWOZKXYOBKZRMY-UHFFFAOYSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine (CID 45228315) is 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine is Fc1cccc(-c2cccc(N3CCC(NC4CCCOC4)CC3)c2)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine?
The InChIKey is BWOZKXYOBKZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-19-6-1-4-17(14-19)18-5-2-8-22(15-18)25-11-9-20(10-12-25)24-21-7-3-13-26-16-21/h1-2,4-6,8,14-15,20-21,24H,3,7,9-13,16H2.
What are the key properties of 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine?
1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine has a molecular weight of 354.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine is sourced from PubChem (CID 45228315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).