[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone

C15H21BrN2O — CID 103440915

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2CN)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-5-6-18(13(7-10)9-17)15(19)12-3-4-14(16)11(2)8-12/h3-4,8,10,13H,5-7,9,17H2,1-2H3
InChIKeyQGKFDABXLKBTQG-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.96
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone (PubChem CID 103440915) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
PubChem CID103440915
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)CC2CN)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10-5-6-18(13(7-10)9-17)15(19)12-3-4-14(16)11(2)8-12/h3-4,8,10,13H,5-7,9,17H2,1-2H3
InChIKeyQGKFDABXLKBTQG-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107940252
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-5-nitrophenyl)methanone
CID 103440998
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
(4-bromo-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113396869
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 103440801
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone (CID 103440915) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC(C)CC2CN)ccc1Br.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone?
The InChIKey is QGKFDABXLKBTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-5-6-18(13(7-10)9-17)15(19)12-3-4-14(16)11(2)8-12/h3-4,8,10,13H,5-7,9,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone has a molecular weight of 325.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 103440915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).