1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol

C16H23BrClNO2 — CID 107395258

IUPAC1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
SMILESCOC1(C)CCCN(CCC(O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C16H23BrClNO2/c1-16(21-2)7-3-8-19(11-16)9-6-15(20)13-5-4-12(17)10-14(13)18/h4-5,10,15,20H,3,6-9,11H2,1-2H3
InChIKeyFZEUKOUUSSAYRS-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 107395258) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
PubChem CID107395258
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
SMILESCOC1(C)CCCN(CCC(O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C16H23BrClNO2/c1-16(21-2)7-3-8-19(11-16)9-6-15(20)13-5-4-12(17)10-14(13)18/h4-5,10,15,20H,3,6-9,11H2,1-2H3
InChIKeyFZEUKOUUSSAYRS-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(3,5-difluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395261
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 82781196
1-(2-bromophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 107395154
4-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-3-ol
CID 114229284
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol (CID 107395258) is 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol is COC1(C)CCCN(CCC(O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is FZEUKOUUSSAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-16(21-2)7-3-8-19(11-16)9-6-15(20)13-5-4-12(17)10-14(13)18/h4-5,10,15,20H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 376.72 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 107395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).