1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine

C15H23BrN2O — CID 102956347

IUPAC1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
SMILESCOC1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C15H23BrN2O/c1-11(17)15(12-5-3-6-13(16)9-12)18-8-4-7-14(10-18)19-2/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3
InChIKeySGYCSNZEHRIJCV-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine

1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine (PubChem CID 102956347) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
PubChem CID102956347
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
SMILESCOC1CCCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C15H23BrN2O/c1-11(17)15(12-5-3-6-13(16)9-12)18-8-4-7-14(10-18)19-2/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3
InChIKeySGYCSNZEHRIJCV-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine (CID 102956347) is 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine is COC1CCCN(C(c2cccc(Br)c2)C(C)N)C1.
What is the InChIKey of 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine?
The InChIKey is SGYCSNZEHRIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(17)15(12-5-3-6-13(16)9-12)18-8-4-7-14(10-18)19-2/h3,5-6,9,11,14-15H,4,7-8,10,17H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine?
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 102956347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).