2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline

C13H18Br2N2 — CID 63427545

IUPAC2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2/c1-17-7-3-2-4-11(17)9-16-13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyLUUDSAVSJSMNJI-UHFFFAOYSA-N
MW362.11 g/mol
LogP4.11
Rot. Bonds3

About 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline

2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 63427545) has the molecular formula C13H18Br2N2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID63427545
Molecular FormulaC13H18Br2N2
Molecular Weight362.11 g/mol
Exact Mass359.98
IUPAC Name2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN1CCCCC1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2/c1-17-7-3-2-4-11(17)9-16-13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyLUUDSAVSJSMNJI-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 106024719
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 106026915
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
CID 116783293
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
N-(4-bromo-2-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110863034
5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
2-bromo-3-fluoro-4-[(1-methylpiperidin-2-yl)methylamino]benzenecarbothioamide
CID 107534968

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 63427545) is 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN1CCCCC1CNc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is LUUDSAVSJSMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2/c1-17-7-3-2-4-11(17)9-16-13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline?
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 362.11 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 63427545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).