2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol

C14H19F2NO2 — CID 115883414

IUPAC2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2NO2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10H2
InChIKeySIGKMHMYSAIJBN-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 115883414) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
PubChem CID115883414
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2NO2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10H2
InChIKeySIGKMHMYSAIJBN-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-4-ol
CID 78461
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973
2-[(4-Fluoro-benzyl)-(2-hydroxy-ethyl)-amino]-ethanol
CID 11042091
4-(2,5-Difluorobenzyl)morpholine
CID 743078
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
4-(3,4-Difluorobenzyl)morpholine
CID 783106
4-(2,6-Difluorobenzyl)morpholine
CID 2845287
benzylamine, 3-fluoro-N,N-bis(2-hydroxyethyl)-
CID 60686224
3-(Methyl(phenylmethyl)amino)-1,2-propanediol
CID 108434
(4-Benzyl-6,6-dimethylmorpholin-2-YL)methanol
CID 71742813
(R)-(4-benzylmorpholin-2-yl)methanol
CID 736506
1-[(2,4-Difluorophenyl)methyl]piperidin-4-ol
CID 751883

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol (CID 115883414) is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is SIGKMHMYSAIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-13-2-1-3-14(16)12(13)10-17-6-4-11(5-7-17)19-9-8-18/h1-3,11,18H,4-10H2.
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 271.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 115883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).