2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol

C14H19F2NO2 — CID 139475766

IUPAC2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
SMILESCOc1cc(F)c(C2CCCN(CCO)C2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3
InChIKeyCIJVFLFLVSRZDN-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol

2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol (PubChem CID 139475766) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
PubChem CID139475766
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
SMILESCOc1cc(F)c(C2CCCN(CCO)C2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3
InChIKeyCIJVFLFLVSRZDN-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
CID 142493849
1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine
CID 153340141
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
2-[(3R)-3-[[8-fluoro-1-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 176769471
2-[(3R)-3-[[8-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 176769529
[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
CID 140853599
2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
CID 90412418
2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol
CID 73440500
2-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanol
CID 73440472
2-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanol
CID 110089825
(2R)-4-[3-(3-methoxyphenyl)piperidin-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 24994617
(2,6-difluoro-4-methoxyphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70768951

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol (CID 139475766) is 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol is COc1cc(F)c(C2CCCN(CCO)C2)c(F)c1.
What is the InChIKey of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The InChIKey is CIJVFLFLVSRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3.
What are the key properties of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 139475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).