2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol

C15H22BrNO — CID 117024704

IUPAC2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCC1(C)CN(c2ccccc2Br)CCC1CCO
InChIInChI=1S/C15H22BrNO/c1-15(2)11-17(9-7-12(15)8-10-18)14-6-4-3-5-13(14)16/h3-6,12,18H,7-11H2,1-2H3
InChIKeySAQMBUMISQSRPN-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.68
Rot. Bonds3

About 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol

2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol (PubChem CID 117024704) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
PubChem CID117024704
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
SMILESCC1(C)CN(c2ccccc2Br)CCC1CCO
InChIInChI=1S/C15H22BrNO/c1-15(2)11-17(9-7-12(15)8-10-18)14-6-4-3-5-13(14)16/h3-6,12,18H,7-11H2,1-2H3
InChIKeySAQMBUMISQSRPN-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Phenylpiperidin-4-yl)ethanol
CID 13842994
1-(4-Bromo-3-fluorophenyl)-4-piperidinemethanol
CID 134562527
1-(4-Bromo-2-fluorophenyl)-4-piperidinemethanol
CID 134580118
1-(5-Bromo-2-fluorophenyl)-3-[2-(dimethylamino)ethyl]piperidin-2-ol
CID 141527431
2-[1-(4-Bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol
CID 165371490
[1-(4-Bromophenyl)-4-fluoropiperidin-4-yl]methanol
CID 171063345
2-[1-(4-Bromophenyl)-4-fluoropiperidin-4-yl]ethanol
CID 172630800
[(3R,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol
CID 11745788
(s)-(-)-3-hydroxyethyl-N-(4-bromophenyl) pyrrolidine
CID 129861798
[(3S,5S)-5-methyl-1-phenylpiperidin-3-yl]methanol
CID 134906133
5-[2-bromo-N-methyl-4-(trifluoromethyl)anilino]pentan-1-ol
CID 107203276
4-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclohexan-1-ol
CID 115239824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol (CID 117024704) is 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol is CC1(C)CN(c2ccccc2Br)CCC1CCO.
What is the InChIKey of 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
The InChIKey is SAQMBUMISQSRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2)11-17(9-7-12(15)8-10-18)14-6-4-3-5-13(14)16/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol?
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol has a molecular weight of 312.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol is sourced from PubChem (CID 117024704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).