2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol

C14H18BrF2NO — CID 106941489

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2NO/c1-14(19,8-9-4-2-3-7-18-9)12-11(16)6-5-10(15)13(12)17/h5-6,9,18-19H,2-4,7-8H2,1H3
InChIKeyFASUJAAYYWMLBY-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol

2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 106941489) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
PubChem CID106941489
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2NO/c1-14(19,8-9-4-2-3-7-18-9)12-11(16)6-5-10(15)13(12)17/h5-6,9,18-19H,2-4,7-8H2,1H3
InChIKeyFASUJAAYYWMLBY-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
CID 106943968
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
CID 107559678
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106264936
1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 106941187
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol (CID 106941489) is 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCCCN1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is FASUJAAYYWMLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-14(19,8-9-4-2-3-7-18-9)12-11(16)6-5-10(15)13(12)17/h5-6,9,18-19H,2-4,7-8H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol?
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 334.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 106941489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).