1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

C14H19BrClNO — CID 116685604

IUPAC1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C14H19BrClNO/c1-9-3-2-4-11(17-9)8-14(18)12-6-5-10(15)7-13(12)16/h5-7,9,11,14,17-18H,2-4,8H2,1H3
InChIKeyGGZRWSWBDDFHMN-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (PubChem CID 116685604) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
PubChem CID116685604
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C14H19BrClNO/c1-9-3-2-4-11(17-9)8-14(18)12-6-5-10(15)7-13(12)16/h5-7,9,11,14,17-18H,2-4,8H2,1H3
InChIKeyGGZRWSWBDDFHMN-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555
1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (CID 116685604) is 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol is CC1CCCC(CC(O)c2ccc(Br)cc2Cl)N1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The InChIKey is GGZRWSWBDDFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9-3-2-4-11(17-9)8-14(18)12-6-5-10(15)7-13(12)16/h5-7,9,11,14,17-18H,2-4,8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol has a molecular weight of 332.67 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).