1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol

C15H21F2NO — CID 111114048

IUPAC1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10(14-4-3-13(16)9-15(14)17)18-7-5-12(6-8-18)11(2)19/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyYISYZGSWBXSCSA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.12
Rot. Bonds3

About 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol

1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol (PubChem CID 111114048) has the molecular formula C15H21F2NO and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
PubChem CID111114048
Molecular FormulaC15H21F2NO
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C(C)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10(14-4-3-13(16)9-15(14)17)18-7-5-12(6-8-18)11(2)19/h3-4,9-12,19H,5-8H2,1-2H3
InChIKeyYISYZGSWBXSCSA-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
3-[1-(2,4-difluorophenyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491116
(1-tert-butylpiperidin-4-yl)-(2,4-difluorophenyl)methanol
CID 118309422
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
[(1R,2R)-2-aminocyclopentyl]-[4-[(1R)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 125146639
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47068763
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol (CID 111114048) is 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(C(C)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol?
The InChIKey is YISYZGSWBXSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(14-4-3-13(16)9-15(14)17)18-7-5-12(6-8-18)11(2)19/h3-4,9-12,19H,5-8H2,1-2H3.
What are the key properties of 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol?
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol has a molecular weight of 269.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111114048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).