3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline

C12H16Br2N2 — CID 91681196

IUPAC3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline
SMILESCC1CCCCN1c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2/c1-8-4-2-3-5-16(8)12-10(13)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3
InChIKeyXGNRYEQEUDGFAI-UHFFFAOYSA-N
MW348.08 g/mol
LogP4.17
Rot. Bonds1

About 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline

3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline (PubChem CID 91681196) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline
PubChem CID91681196
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline
SMILESCC1CCCCN1c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2/c1-8-4-2-3-5-16(8)12-10(13)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3
InChIKeyXGNRYEQEUDGFAI-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94068311
3,5-dibromo-4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]aniline
CID 100804917
3-chloro-5-methoxy-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94671621
1-(2-bromo-6-methyl-4-nitrophenyl)-2-methylpiperidine
CID 50880046
5-amino-3-chloro-2-(2-methylpiperidin-1-yl)benzamide
CID 107192408
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
1-(2-bromo-6-ethyl-4-nitrophenyl)-2-methylpiperidine
CID 91681102
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline (CID 91681196) is 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline is CC1CCCCN1c1c(Br)cc(N)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline?
The InChIKey is XGNRYEQEUDGFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-8-4-2-3-5-16(8)12-10(13)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3.
What are the key properties of 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline?
3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline has a molecular weight of 348.08 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 91681196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).