[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol

C22H23FN2O — CID 95197933

IUPAC[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@]1(Cc2ccc(F)cc2)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-9-6-17(7-10-19)14-22(16-26)12-3-13-25(15-22)21-11-8-18-4-1-2-5-20(18)24-21/h1-2,4-11,26H,3,12-16H2/t22-/m0/s1
InChIKeyXYJOSYFVGCDDEB-QFIPXVFZSA-N
MW350.44 g/mol
LogP4.20
Rot. Bonds4

About [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol

[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (PubChem CID 95197933) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
PubChem CID95197933
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@]1(Cc2ccc(F)cc2)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-9-6-17(7-10-19)14-22(16-26)12-3-13-25(15-22)21-11-8-18-4-1-2-5-20(18)24-21/h1-2,4-11,26H,3,12-16H2/t22-/m0/s1
InChIKeyXYJOSYFVGCDDEB-QFIPXVFZSA-N
XLogP4.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (CID 95197933) is [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is OC[C@]1(Cc2ccc(F)cc2)CCCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The InChIKey is XYJOSYFVGCDDEB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-19-9-6-17(7-10-19)14-22(16-26)12-3-13-25(15-22)21-11-8-18-4-1-2-5-20(18)24-21/h1-2,4-11,26H,3,12-16H2/t22-/m0/s1.
What are the key properties of [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol has a molecular weight of 350.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 95197933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).