1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol

C16H24BrNO — CID 55099186

IUPAC1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)CN(CCC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-12-8-13(2)11-18(10-12)7-6-16(19)14-4-3-5-15(17)9-14/h3-5,9,12-13,16,19H,6-8,10-11H2,1-2H3
InChIKeyBSOKBIOBNOOUOU-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol

1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol (PubChem CID 55099186) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
PubChem CID55099186
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)CN(CCC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-12-8-13(2)11-18(10-12)7-6-16(19)14-4-3-5-15(17)9-14/h3-5,9,12-13,16,19H,6-8,10-11H2,1-2H3
InChIKeyBSOKBIOBNOOUOU-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379
1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 55099046
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol (CID 55099186) is 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol is CC1CC(C)CN(CCC(O)c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is BSOKBIOBNOOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-8-13(2)11-18(10-12)7-6-16(19)14-4-3-5-15(17)9-14/h3-5,9,12-13,16,19H,6-8,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol?
1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 55099186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).