[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone

C14H18Br2N2O — CID 107940252

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)cc2Br)C(CN)C1
InChIInChI=1S/C14H18Br2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)12-3-2-10(15)7-13(12)16/h2-3,7,9,11H,4-6,8,17H2,1H3
InChIKeyRJRAHCBZJNJICD-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.41
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone (PubChem CID 107940252) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
PubChem CID107940252
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)cc2Br)C(CN)C1
InChIInChI=1S/C14H18Br2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)12-3-2-10(15)7-13(12)16/h2-3,7,9,11H,4-6,8,17H2,1H3
InChIKeyRJRAHCBZJNJICD-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-5-nitrophenyl)methanone
CID 103440998
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
CID 103440915
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone
CID 103352234
[2-(chloromethyl)pyrrolidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107941005
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
[4-(aminomethyl)piperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107939826
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103440844

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone (CID 107940252) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone is CC1CCN(C(=O)c2ccc(Br)cc2Br)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone?
The InChIKey is RJRAHCBZJNJICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)12-3-2-10(15)7-13(12)16/h2-3,7,9,11H,4-6,8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.41, 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]-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107940252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).