2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol

C13H17F2NO — CID 22371833

IUPAC2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol
SMILESOCCC1(c2ccc(F)c(F)c2)CCCNC1
InChIInChI=1S/C13H17F2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2
InChIKeySTVTWGUMEJNFQV-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.97
Rot. Bonds3

About 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol

2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol (PubChem CID 22371833) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol
PubChem CID22371833
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol
SMILESOCCC1(c2ccc(F)c(F)c2)CCCNC1
InChIInChI=1S/C13H17F2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2
InChIKeySTVTWGUMEJNFQV-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylpiperidine-4-methanol
CID 77896
(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
Threo-ritalinol hydrochloride
CID 10726933
(+/-)-threo-3-Fluororitalinol
CID 52947218
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
4-Piperidinemethanol, 1-methyl-4-phenyl-
CID 199461
(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
(4-Fluorophenyl)(piperidin-4-yl)methanol
CID 4778266
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethanol;hydrochloride
CID 16719764
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
rac-(3R,4R)-4-phenylpiperidin-3-ol
CID 16671922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol (CID 22371833) is 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol is OCCC1(c2ccc(F)c(F)c2)CCCNC1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol?
The InChIKey is STVTWGUMEJNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-3-2-10(8-12(11)15)13(5-7-17)4-1-6-16-9-13/h2-3,8,16-17H,1,4-7,9H2.
What are the key properties of 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol?
2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol has a molecular weight of 241.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 22371833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).