1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

C23H23FN2O — CID 16676270

IUPAC1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H23FN2O/c24-22-9-7-20(8-10-22)19-5-3-18(4-6-19)17-26-14-11-23(27,12-15-26)21-2-1-13-25-16-21/h1-10,13,16,27H,11-12,14-15,17H2
InChIKeyBRUNUNINYWTYAT-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.37
Rot. Bonds4

About 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 16676270) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID16676270
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H23FN2O/c24-22-9-7-20(8-10-22)19-5-3-18(4-6-19)17-26-14-11-23(27,12-15-26)21-2-1-13-25-16-21/h1-10,13,16,27H,11-12,14-15,17H2
InChIKeyBRUNUNINYWTYAT-UHFFFAOYSA-N
XLogP4.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 16676270) is 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is OC1(c2cccnc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is BRUNUNINYWTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-22-9-7-20(8-10-22)19-5-3-18(4-6-19)17-26-14-11-23(27,12-15-26)21-2-1-13-25-16-21/h1-10,13,16,27H,11-12,14-15,17H2.
What are the key properties of 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 362.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 16676270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).