1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol

C24H24FNO — CID 22600026

IUPAC1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C24H24FNO/c25-22-8-4-7-21(15-22)19-9-11-20(12-10-19)24-16-23(27)13-14-26(24)17-18-5-2-1-3-6-18/h1-12,15,23-24,27H,13-14,16-17H2
InChIKeyDJPFKHYXULKZQF-UHFFFAOYSA-N
MW361.46 g/mol
LogP5.19
Rot. Bonds4

About 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol

1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol (PubChem CID 22600026) has the molecular formula C24H24FNO and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol
PubChem CID22600026
Molecular FormulaC24H24FNO
Molecular Weight361.46 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C24H24FNO/c25-22-8-4-7-21(15-22)19-9-11-20(12-10-19)24-16-23(27)13-14-26(24)17-18-5-2-1-3-6-18/h1-12,15,23-24,27H,13-14,16-17H2
InChIKeyDJPFKHYXULKZQF-UHFFFAOYSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol (CID 22600026) is 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol is OC1CCN(Cc2ccccc2)C(c2ccc(-c3cccc(F)c3)cc2)C1.
What is the InChIKey of 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol?
The InChIKey is DJPFKHYXULKZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO/c25-22-8-4-7-21(15-22)19-9-11-20(12-10-19)24-16-23(27)13-14-26(24)17-18-5-2-1-3-6-18/h1-12,15,23-24,27H,13-14,16-17H2.
What are the key properties of 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol?
1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol has a molecular weight of 361.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-(3-fluorophenyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 22600026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).