1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol

C16H22BrF2NO2 — CID 3415689

IUPAC1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CC(C)CN(CC(O)COc2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C16H22BrF2NO2/c1-10-3-11(2)7-20(6-10)8-13(21)9-22-16-14(18)4-12(17)5-15(16)19/h4-5,10-11,13,21H,3,6-9H2,1-2H3
InChIKeyAUCXNZLKIXLPGQ-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol

1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 3415689) has the molecular formula C16H22BrF2NO2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID3415689
Molecular FormulaC16H22BrF2NO2
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CC(C)CN(CC(O)COc2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C16H22BrF2NO2/c1-10-3-11(2)7-20(6-10)8-13(21)9-22-16-14(18)4-12(17)5-15(16)19/h4-5,10-11,13,21H,3,6-9H2,1-2H3
InChIKeyAUCXNZLKIXLPGQ-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol chloride
CID 21237785
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42559881
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680
(2S)-1-(4-bromo-2,6-difluorophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6596232
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(3,5-dimethylpiperidin-1-yl)-3-[4-[2-[4-[3-(3,5-dimethylpiperidin-1-yl)-2-hydroxypropoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol
CID 46901719
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
1-[3-(4-bromo-2,6-difluorophenoxy)-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 132585763
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol (CID 3415689) is 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol is CC1CC(C)CN(CC(O)COc2c(F)cc(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is AUCXNZLKIXLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF2NO2/c1-10-3-11(2)7-20(6-10)8-13(21)9-22-16-14(18)4-12(17)5-15(16)19/h4-5,10-11,13,21H,3,6-9H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol?
1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 378.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 3415689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).