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

C30H33FN2O — CID 134797590

IUPAC[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H33FN2O/c31-29-13-7-6-12-28(29)27-11-5-4-10-26(27)22-32-18-14-25(15-19-32)30(34)33-20-16-24(17-21-33)23-8-2-1-3-9-23/h1-13,24-25H,14-22H2
InChIKeyQOUUHUVGMBKVJI-UHFFFAOYSA-N
MW456.61 g/mol
LogP6.11
Rot. Bonds5

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

[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134797590) has the molecular formula C30H33FN2O and a molecular weight of 456.61 g/mol. Its IUPAC name is [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134797590
Molecular FormulaC30H33FN2O
Molecular Weight456.61 g/mol
Exact Mass456.26
IUPAC Name[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C30H33FN2O/c31-29-13-7-6-12-28(29)27-11-5-4-10-26(27)22-32-18-14-25(15-19-32)30(34)33-20-16-24(17-21-33)23-8-2-1-3-9-23/h1-13,24-25H,14-22H2
InChIKeyQOUUHUVGMBKVJI-UHFFFAOYSA-N
XLogP6.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134797590) is [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(C1CCN(Cc2ccccc2-c2ccccc2F)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is QOUUHUVGMBKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O/c31-29-13-7-6-12-28(29)27-11-5-4-10-26(27)22-32-18-14-25(15-19-32)30(34)33-20-16-24(17-21-33)23-8-2-1-3-9-23/h1-13,24-25H,14-22H2.
What are the key properties of [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 456.61 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134797590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).