(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one

C14H19BrN2O — CID 95932164

IUPAC(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCc1cc(CN[C@@H]2CCC(=O)N(C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-7-11(3-5-13(10)15)8-16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyBHFNEGCZEHQVKE-GFCCVEGCSA-N
MW311.22 g/mol
LogP2.47
Rot. Bonds3

About (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one

(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 95932164) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID95932164
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCc1cc(CN[C@@H]2CCC(=O)N(C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-7-11(3-5-13(10)15)8-16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyBHFNEGCZEHQVKE-GFCCVEGCSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-methylpiperidin-2-one
CID 102836038
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253
N-[(4-bromo-3-methylphenyl)methyl]thian-3-amine
CID 115676145
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
CID 64654695

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one (CID 95932164) is (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one is Cc1cc(CN[C@@H]2CCC(=O)N(C)C2)ccc1Br.
What is the InChIKey of (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is BHFNEGCZEHQVKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-7-11(3-5-13(10)15)8-16-12-4-6-14(18)17(2)9-12/h3,5,7,12,16H,4,6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 311.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 95932164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).