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

C13H17F2NO — CID 110901948

IUPAC1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
SMILESCC(c1ccc(F)cc1F)N1CCC(O)CC1
InChIInChI=1S/C13H17F2NO/c1-9(16-6-4-11(17)5-7-16)12-3-2-10(14)8-13(12)15/h2-3,8-9,11,17H,4-7H2,1H3
InChIKeyYIEIUWLENFPSAX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds2

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

1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol (PubChem CID 110901948) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
PubChem CID110901948
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
SMILESCC(c1ccc(F)cc1F)N1CCC(O)CC1
InChIInChI=1S/C13H17F2NO/c1-9(16-6-4-11(17)5-7-16)12-3-2-10(14)8-13(12)15/h2-3,8-9,11,17H,4-7H2,1H3
InChIKeyYIEIUWLENFPSAX-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-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
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
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
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-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47068763
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol (CID 110901948) is 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol is CC(c1ccc(F)cc1F)N1CCC(O)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The InChIKey is YIEIUWLENFPSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(16-6-4-11(17)5-7-16)12-3-2-10(14)8-13(12)15/h2-3,8-9,11,17H,4-7H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-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-(2,4-difluorophenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 110901948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).