1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol

C18H21FN2O — CID 174531354

IUPAC1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCNC(c2cccnc2)C1
InChIInChI=1S/C18H21FN2O/c1-18(22,14-5-2-6-16(19)10-14)15-7-9-21-17(11-15)13-4-3-8-20-12-13/h2-6,8,10,12,15,17,21-22H,7,9,11H2,1H3
InChIKeyDKQLHIYAIRIRAF-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.17
Rot. Bonds3

About 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol

1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol (PubChem CID 174531354) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol
PubChem CID174531354
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCNC(c2cccnc2)C1
InChIInChI=1S/C18H21FN2O/c1-18(22,14-5-2-6-16(19)10-14)15-7-9-21-17(11-15)13-4-3-8-20-12-13/h2-6,8,10,12,15,17,21-22H,7,9,11H2,1H3
InChIKeyDKQLHIYAIRIRAF-UHFFFAOYSA-N
XLogP3.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 176898727
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
2-phenyl-4-(trifluoromethyl)piperidine
CID 66330695
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine
CID 167460306
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
2-pyridin-3-ylpiperazine
CID 3872289
3-[(5S)-2-[(3-fluorophenoxy)methyl]-4,5-dihydro-1H-imidazol-5-yl]pyridine
CID 143001498

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol (CID 174531354) is 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol is CC(O)(c1cccc(F)c1)C1CCNC(c2cccnc2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol?
The InChIKey is DKQLHIYAIRIRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-18(22,14-5-2-6-16(19)10-14)15-7-9-21-17(11-15)13-4-3-8-20-12-13/h2-6,8,10,12,15,17,21-22H,7,9,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol?
1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol has a molecular weight of 300.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(2-pyridin-3-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 174531354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).