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

C16H23F2NO — CID 82074393

IUPAC1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2NO/c1-2-13-5-3-4-9-19(13)10-8-16(20)14-11-12(17)6-7-15(14)18/h6-7,11,13,16,20H,2-5,8-10H2,1H3
InChIKeyRUGYJEQMVRFPGL-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.65
Rot. Bonds5

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

1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (PubChem CID 82074393) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
PubChem CID82074393
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C16H23F2NO/c1-2-13-5-3-4-9-19(13)10-8-16(20)14-11-12(17)6-7-15(14)18/h6-7,11,13,16,20H,2-5,8-10H2,1H3
InChIKeyRUGYJEQMVRFPGL-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (CID 82074393) is 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is CCC1CCCCN1CCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The InChIKey is RUGYJEQMVRFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-13-5-3-4-9-19(13)10-8-16(20)14-11-12(17)6-7-15(14)18/h6-7,11,13,16,20H,2-5,8-10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol has a molecular weight of 283.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82074393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).