(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone

C31H35FN2O — CID 134799677

IUPAC(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C31H35FN2O/c32-30-13-7-6-12-29(30)28-11-5-4-10-27(28)23-33-18-16-26(17-19-33)31(35)34-20-14-25(15-21-34)22-24-8-2-1-3-9-24/h1-13,25-26H,14-23H2
InChIKeyBCDZGPYGENNYQY-UHFFFAOYSA-N
MW470.63 g/mol
LogP6.19
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone (PubChem CID 134799677) has the molecular formula C31H35FN2O and a molecular weight of 470.63 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone
PubChem CID134799677
Molecular FormulaC31H35FN2O
Molecular Weight470.63 g/mol
Exact Mass470.27
IUPAC Name(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C31H35FN2O/c32-30-13-7-6-12-29(30)28-11-5-4-10-27(28)23-33-18-16-26(17-19-33)31(35)34-20-14-25(15-21-34)22-24-8-2-1-3-9-24/h1-13,25-26H,14-23H2
InChIKeyBCDZGPYGENNYQY-UHFFFAOYSA-N
XLogP6.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone (CID 134799677) is (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone?
The InChIKey is BCDZGPYGENNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN2O/c32-30-13-7-6-12-29(30)28-11-5-4-10-27(28)23-33-18-16-26(17-19-33)31(35)34-20-14-25(15-21-34)22-24-8-2-1-3-9-24/h1-13,25-26H,14-23H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone has a molecular weight of 470.63 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134799677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).