1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol

C13H17F2NO — CID 110900453

IUPAC1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
SMILESCC(c1cc(F)ccc1F)N1CCCC(O)C1
InChIInChI=1S/C13H17F2NO/c1-9(16-6-2-3-11(17)8-16)12-7-10(14)4-5-13(12)15/h4-5,7,9,11,17H,2-3,6,8H2,1H3
InChIKeyNSRKBZNRMAGGCQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol

1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol (PubChem CID 110900453) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
PubChem CID110900453
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
SMILESCC(c1cc(F)ccc1F)N1CCCC(O)C1
InChIInChI=1S/C13H17F2NO/c1-9(16-6-2-3-11(17)8-16)12-7-10(14)4-5-13(12)15/h4-5,7,9,11,17H,2-3,6,8H2,1H3
InChIKeyNSRKBZNRMAGGCQ-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838450
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982569
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
(2S)-2-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552545

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol?
The IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol (CID 110900453) is 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol is CC(c1cc(F)ccc1F)N1CCCC(O)C1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol?
The InChIKey is NSRKBZNRMAGGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(16-6-2-3-11(17)8-16)12-7-10(14)4-5-13(12)15/h4-5,7,9,11,17H,2-3,6,8H2,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol?
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol is sourced from PubChem (CID 110900453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).