2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine

C27H30F2N2 — CID 10672803

IUPAC2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(C(NCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-17-14-21-15-18-31(19-16-21)20-22-4-2-1-3-5-22/h1-13,21,27,30H,14-20H2
InChIKeyVGRLTUHUYGCCLF-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.95
Rot. Bonds8

About 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine

2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine (PubChem CID 10672803) has the molecular formula C27H30F2N2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine
PubChem CID10672803
Molecular FormulaC27H30F2N2
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(C(NCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-17-14-21-15-18-31(19-16-21)20-22-4-2-1-3-5-22/h1-13,21,27,30H,14-20H2
InChIKeyVGRLTUHUYGCCLF-UHFFFAOYSA-N
XLogP5.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine 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 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine (CID 10672803) is 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine is Fc1ccc(C(NCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
The InChIKey is VGRLTUHUYGCCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-17-14-21-15-18-31(19-16-21)20-22-4-2-1-3-5-22/h1-13,21,27,30H,14-20H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine?
2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine has a molecular weight of 420.55 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-[bis(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 10672803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).