1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

C15H22BrNO — CID 114425940

IUPAC1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-2-11-6-7-17-14(8-11)10-15(18)12-4-3-5-13(16)9-12/h3-5,9,11,14-15,17-18H,2,6-8,10H2,1H3
InChIKeyRFEZSVPMPJAYNB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol

1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (PubChem CID 114425940) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
PubChem CID114425940
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
SMILESCCC1CCNC(CC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-2-11-6-7-17-14(8-11)10-15(18)12-4-3-5-13(16)9-12/h3-5,9,11,14-15,17-18H,2,6-8,10H2,1H3
InChIKeyRFEZSVPMPJAYNB-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426133
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002
1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
CID 116685463
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
CID 102894010
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol (CID 114425940) is 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is CCC1CCNC(CC(O)c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
The InChIKey is RFEZSVPMPJAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-11-6-7-17-14(8-11)10-15(18)12-4-3-5-13(16)9-12/h3-5,9,11,14-15,17-18H,2,6-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol?
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol has a molecular weight of 312.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol is sourced from PubChem (CID 114425940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).