1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine

C16H25BrN2O — CID 62617221

IUPAC1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
SMILESCCOC1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H25BrN2O/c1-2-20-15-6-9-19(10-7-15)11-8-16(18)13-4-3-5-14(17)12-13/h3-5,12,15-16H,2,6-11,18H2,1H3
InChIKeyYSULIRRLKJYTEN-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.34
Rot. Bonds6

About 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine

1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine (PubChem CID 62617221) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
PubChem CID62617221
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
SMILESCCOC1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C16H25BrN2O/c1-2-20-15-6-9-19(10-7-15)11-8-16(18)13-4-3-5-14(17)12-13/h3-5,12,15-16H,2,6-11,18H2,1H3
InChIKeyYSULIRRLKJYTEN-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(2-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62630612
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
CID 62619458
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103539140
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
1-(3-bromophenyl)tridecan-1-amine
CID 63412351

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine (CID 62617221) is 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine is CCOC1CCN(CCC(N)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
The InChIKey is YSULIRRLKJYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-2-20-15-6-9-19(10-7-15)11-8-16(18)13-4-3-5-14(17)12-13/h3-5,12,15-16H,2,6-11,18H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine?
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine has a molecular weight of 341.29 g/mol, XLogP of 3.34, 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-(4-ethoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62617221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).