1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide

C15H22BrN3O — CID 82968353

IUPAC1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC(N)c1cc(Br)ccc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-11(15(18)20)8-19(9)14-6-5-12(16)7-13(14)10(2)17/h5-7,9-11H,3-4,8,17H2,1-2H3,(H2,18,20)
InChIKeyQQNOUDTUSCRHRG-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.56
Rot. Bonds3

About 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide

1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 82968353) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
PubChem CID82968353
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
SMILESCC(N)c1cc(Br)ccc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H22BrN3O/c1-9-3-4-11(15(18)20)8-19(9)14-6-5-12(16)7-13(14)10(2)17/h5-7,9-11H,3-4,8,17H2,1-2H3,(H2,18,20)
InChIKeyQQNOUDTUSCRHRG-UHFFFAOYSA-N
XLogP2.56
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 82970203
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 78935524
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 63368743
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 62911163
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 103958704
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 63372713
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
CID 66064522
1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
CID 82971943
1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethanol
CID 82970582

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide (CID 82968353) is 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide is CC(N)c1cc(Br)ccc1N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is QQNOUDTUSCRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-9-3-4-11(15(18)20)8-19(9)14-6-5-12(16)7-13(14)10(2)17/h5-7,9-11H,3-4,8,17H2,1-2H3,(H2,18,20).
What are the key properties of 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide?
1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 82968353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).