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

C22H23FN2O — CID 95196902

IUPAC[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2/t22-/m1/s1
InChIKeyYHUJQPTWPQFZPO-JOCHJYFZSA-N
MW350.44 g/mol
LogP4.20
Rot. Bonds4

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

[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (PubChem CID 95196902) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
PubChem CID95196902
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@@]1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2/t22-/m1/s1
InChIKeyYHUJQPTWPQFZPO-JOCHJYFZSA-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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Related Compounds

[(3S)-3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95197933
[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56738717
[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol
CID 126801946
[3-[(2,4-difluorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56760562
2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 56752776
[3-[(2-methylphenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56739908
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
CID 95188002
[1-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56741696
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol (CID 95196902) is [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is OC[C@@]1(Cc2ccccc2F)CCCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
The InChIKey is YHUJQPTWPQFZPO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-19-8-3-1-7-18(19)14-22(16-26)12-5-13-25(15-22)21-11-10-17-6-2-4-9-20(17)24-21/h1-4,6-11,26H,5,12-16H2/t22-/m1/s1.
What are the key properties of [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol?
[(3R)-3-[(2-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 [(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 95196902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).