1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

C14H19F2NO — CID 82217048

IUPAC1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyCNWMTGYTRRUFAA-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (PubChem CID 82217048) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
PubChem CID82217048
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyCNWMTGYTRRUFAA-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
CID 95586158
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (CID 82217048) is 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is CC1CCCN(CC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The InChIKey is CNWMTGYTRRUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82217048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).