1-benzyl-4-(4-fluorophenyl)piperidin-3-ol

C18H20FNO — CID 22126857

IUPAC1-benzyl-4-(4-fluorophenyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2
InChIKeyNBOAJKKARIFZFK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.18
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol

1-benzyl-4-(4-fluorophenyl)piperidin-3-ol (PubChem CID 22126857) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)piperidin-3-ol
PubChem CID22126857
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-benzyl-4-(4-fluorophenyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2
InChIKeyNBOAJKKARIFZFK-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol (CID 22126857) is 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol is OC1CN(Cc2ccccc2)CCC1c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol?
The InChIKey is NBOAJKKARIFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-16-8-6-15(7-9-16)17-10-11-20(13-18(17)21)12-14-4-2-1-3-5-14/h1-9,17-18,21H,10-13H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol?
1-benzyl-4-(4-fluorophenyl)piperidin-3-ol has a molecular weight of 285.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 22126857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).