1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol

C23H23FN2O — CID 19863519

IUPAC1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C23H23FN2O/c24-21-8-6-19(7-9-21)22-16-18(10-13-25-22)17-26-14-11-23(27,12-15-26)20-4-2-1-3-5-20/h1-10,13,16,27H,11-12,14-15,17H2
InChIKeyXVMIDIHMESQQAV-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.37
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol

1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol (PubChem CID 19863519) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol
PubChem CID19863519
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C23H23FN2O/c24-21-8-6-19(7-9-21)22-16-18(10-13-25-22)17-26-14-11-23(27,12-15-26)20-4-2-1-3-5-20/h1-10,13,16,27H,11-12,14-15,17H2
InChIKeyXVMIDIHMESQQAV-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-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol (CID 19863519) is 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(Cc2ccnc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol?
The InChIKey is XVMIDIHMESQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-21-8-6-19(7-9-21)22-16-18(10-13-25-22)17-26-14-11-23(27,12-15-26)20-4-2-1-3-5-20/h1-10,13,16,27H,11-12,14-15,17H2.
What are the key properties of 1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol?
1-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-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-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 19863519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).