1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone

C15H21BrN2O — CID 103441123

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-18(14(7-11)10-17)15(19)9-12-3-2-4-13(16)8-12/h2-4,8,11,14H,5-7,9-10,17H2,1H3
InChIKeyTWCIIMVTMFKTAY-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.58
Rot. Bonds3

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone (PubChem CID 103441123) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
PubChem CID103441123
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2cccc(Br)c2)C(CN)C1
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-18(14(7-11)10-17)15(19)9-12-3-2-4-13(16)8-12/h2-4,8,11,14H,5-7,9-10,17H2,1H3
InChIKeyTWCIIMVTMFKTAY-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 103441076
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 103440872
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107940252
1-[2-(3-bromophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069632
2-(3-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81485186
2-(3-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650673
1-[3-(3-bromophenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421829
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
2-(3-bromophenyl)-1-(1,4-diazabicyclo[3.2.2]nonan-4-yl)ethanone
CID 166206257
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone (CID 103441123) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone is CC1CCN(C(=O)Cc2cccc(Br)c2)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone?
The InChIKey is TWCIIMVTMFKTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-6-18(14(7-11)10-17)15(19)9-12-3-2-4-13(16)8-12/h2-4,8,11,14H,5-7,9-10,17H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone has a molecular weight of 325.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone is sourced from PubChem (CID 103441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).