2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol

C13H17F2NO — CID 54775718

IUPAC2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
SMILESOCC(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-4-5-11(12(15)8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyXCRQQFRBCOGCSJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol

2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol (PubChem CID 54775718) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
PubChem CID54775718
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
SMILESOCC(c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-4-5-11(12(15)8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2
InChIKeyXCRQQFRBCOGCSJ-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(azepan-1-yl)-2-(2,4-difluorophenyl)ethanethioamide
CID 84748603
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
methyl 2-(2,4-difluorophenyl)-2-piperidin-1-ylacetate
CID 116860455
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol (CID 54775718) is 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol is OCC(c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol?
The InChIKey is XCRQQFRBCOGCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-4-5-11(12(15)8-10)13(9-17)16-6-2-1-3-7-16/h4-5,8,13,17H,1-3,6-7,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol?
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol has a molecular weight of 241.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 54775718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).