3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol

C17H25F2NO — CID 11716341

IUPAC3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol
SMILESCCCC1CCNC(C(O)CCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-2-3-12-6-7-20-16(10-12)17(21)5-4-13-8-14(18)11-15(19)9-13/h8-9,11-12,16-17,20-21H,2-7,10H2,1H3
InChIKeyAIILWJHOHYOWGY-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.43
Rot. Bonds6

About 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol

3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol (PubChem CID 11716341) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol
PubChem CID11716341
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol
SMILESCCCC1CCNC(C(O)CCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-2-3-12-6-7-20-16(10-12)17(21)5-4-13-8-14(18)11-15(19)9-13/h8-9,11-12,16-17,20-21H,2-7,10H2,1H3
InChIKeyAIILWJHOHYOWGY-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
Phenyl(piperidin-2-yl)methanol
CID 225581
(+/-)-threo-3-Fluororitalinol
CID 52947218
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266
(1S)-2-(3-phenylpropoxy)-1-[(2R)-piperidin-2-yl]ethanol
CID 14201550
(1S)-2-(3-phenylpropoxy)-1-[(2S)-piperidin-2-yl]ethanol
CID 21595423
1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
trans-(R)-1-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)piperidin-3-ol
CID 53322820
(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol
CID 73292087
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-(2-phenylethyl)piperidine-3,4-diol
CID 145991014

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol (CID 11716341) is 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol is CCCC1CCNC(C(O)CCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol?
The InChIKey is AIILWJHOHYOWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-3-12-6-7-20-16(10-12)17(21)5-4-13-8-14(18)11-15(19)9-13/h8-9,11-12,16-17,20-21H,2-7,10H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol?
3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-(4-propylpiperidin-2-yl)propan-1-ol is sourced from PubChem (CID 11716341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).