1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol

C18H21FN2O — CID 72855355

IUPAC1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(c2ccncc2F)CC1
InChIInChI=1S/C18H21FN2O/c19-16-13-20-9-6-17(16)21-10-7-15(8-11-21)18(22)12-14-4-2-1-3-5-14/h1-6,9,13,15,18,22H,7-8,10-12H2
InChIKeyNYWBLFJYAGSXTO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol

1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol (PubChem CID 72855355) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol
PubChem CID72855355
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(c2ccncc2F)CC1
InChIInChI=1S/C18H21FN2O/c19-16-13-20-9-6-17(16)21-10-7-15(8-11-21)18(22)12-14-4-2-1-3-5-14/h1-6,9,13,15,18,22H,7-8,10-12H2
InChIKeyNYWBLFJYAGSXTO-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Phenyl-4-pyridinemethanol
CID 98305
2-[1-(2-Phenylethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 16189129
trans-(+)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11187225
(-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11256620
4-(3-Fluoro-phenyl)-1-pyridin-4-ylmethyl-piperidin-4-ol
CID 645747
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430
(7R,9S)-7-((4-methyl-4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894431
(7R,9S)-7-((4-o-tolylpiperazin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894647
(7R,9S)-7-(((3S,4S)-4-(4-fluoro-2-methylphenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 44561020
trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
CID 122181170
4-(4-Fluoro-phenyl)-1-pyridin-3-ylmethyl-piperidin-4-ol
CID 3228767
[4-Benzyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 16188295

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol (CID 72855355) is 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol is OC(Cc1ccccc1)C1CCN(c2ccncc2F)CC1.
What is the InChIKey of 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol?
The InChIKey is NYWBLFJYAGSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-16-13-20-9-6-17(16)21-10-7-15(8-11-21)18(22)12-14-4-2-1-3-5-14/h1-6,9,13,15,18,22H,7-8,10-12H2.
What are the key properties of 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol?
1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol has a molecular weight of 300.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 72855355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).