1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol

C13H18BrNO — CID 117024252

IUPAC1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2ccccc2Br)CCC1O
InChIInChI=1S/C13H18BrNO/c1-13(2)9-15(8-7-12(13)16)11-6-4-3-5-10(11)14/h3-6,12,16H,7-9H2,1-2H3
InChIKeyGPFQYNDSUBUHKZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds1

About 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol

1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 117024252) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
PubChem CID117024252
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2ccccc2Br)CCC1O
InChIInChI=1S/C13H18BrNO/c1-13(2)9-15(8-7-12(13)16)11-6-4-3-5-10(11)14/h3-6,12,16H,7-9H2,1-2H3
InChIKeyGPFQYNDSUBUHKZ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
CID 117024204
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperidin-4-ol
CID 117024245
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
CID 64925876
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
2-[1-(2-bromophenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025663
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 112747183

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol (CID 117024252) is 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol is CC1(C)CN(c2ccccc2Br)CCC1O.
What is the InChIKey of 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is GPFQYNDSUBUHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2)9-15(8-7-12(13)16)11-6-4-3-5-10(11)14/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol?
1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 284.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 117024252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).