3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol

C12H14BrF2NO — CID 106941435

IUPAC3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C12H14BrF2NO/c1-16-6-2-5-12(17,7-16)10-9(14)4-3-8(13)11(10)15/h3-4,17H,2,5-7H2,1H3
InChIKeyPQFDCMYCCVXEFK-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.64
Rot. Bonds1

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

3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol (PubChem CID 106941435) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
PubChem CID106941435
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C12H14BrF2NO/c1-16-6-2-5-12(17,7-16)10-9(14)4-3-8(13)11(10)15/h3-4,17H,2,5-7H2,1H3
InChIKeyPQFDCMYCCVXEFK-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-3-ol
CID 106761485
1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
CID 106941217
4-(4-bromo-3-chloro-2-fluorophenyl)-1-methylazepan-4-ol
CID 106761407
3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
CID 79743161
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 102751806
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106941425
4-[(3-bromo-2,6-difluorophenyl)methyl]-1-propylazepan-4-ol
CID 106265398
1-[4-(3-hydroxy-1-methylpiperidin-3-yl)phenyl]ethanone
CID 105492994
3-(2-methoxy-4,6-dimethylphenyl)-1-methylpiperidin-3-ol
CID 106679716
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol (CID 106941435) is 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol is CN1CCCC(O)(c2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol?
The InChIKey is PQFDCMYCCVXEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-16-6-2-5-12(17,7-16)10-9(14)4-3-8(13)11(10)15/h3-4,17H,2,5-7H2,1H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol?
3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol has a molecular weight of 306.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 106941435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).