1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol

C17H27BrN2O — CID 63234218

IUPAC1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2O/c1-19-9-6-14(7-10-19)13-20(2)11-8-17(21)15-4-3-5-16(18)12-15/h3-5,12,14,17,21H,6-11,13H2,1-2H3
InChIKeyYONQVALKJSJCAV-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.15
Rot. Bonds6

About 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol

1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (PubChem CID 63234218) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
PubChem CID63234218
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2O/c1-19-9-6-14(7-10-19)13-20(2)11-8-17(21)15-4-3-5-16(18)12-15/h3-5,12,14,17,21H,6-11,13H2,1-2H3
InChIKeyYONQVALKJSJCAV-UHFFFAOYSA-N
XLogP3.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
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-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (CID 63234218) is 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is CN1CCC(CN(C)CCC(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The InChIKey is YONQVALKJSJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-19-9-6-14(7-10-19)13-20(2)11-8-17(21)15-4-3-5-16(18)12-15/h3-5,12,14,17,21H,6-11,13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol has a molecular weight of 355.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 63234218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).