2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C16H23BrN2O2 — CID 60932132

IUPAC2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(Br)cc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-12(16(20)19-8-4-3-5-9-19)18-11-13-10-14(17)6-7-15(13)21-2/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyXXHVPWMGBNHSOS-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.95
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60932132) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID60932132
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(Br)cc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-12(16(20)19-8-4-3-5-9-19)18-11-13-10-14(17)6-7-15(13)21-2/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3
InChIKeyXXHVPWMGBNHSOS-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615294
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 60932132) is 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is COc1ccc(Br)cc1CNC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is XXHVPWMGBNHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12(16(20)19-8-4-3-5-9-19)18-11-13-10-14(17)6-7-15(13)21-2/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 355.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60932132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).