3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine

C13H22N4 — CID 144702879

IUPAC3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1N1CC(C)NC(C)C1
InChIInChI=1S/C13H22N4/c1-9-7-17(8-10(2)16-9)12-6-4-5-11(14)13(12)15-3/h4-6,9-10,15-16H,7-8,14H2,1-3H3
InChIKeyHHMGMDCBDMCUBC-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.50
Rot. Bonds2

About 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine

3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine (PubChem CID 144702879) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine
PubChem CID144702879
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)cccc1N1CC(C)NC(C)C1
InChIInChI=1S/C13H22N4/c1-9-7-17(8-10(2)16-9)12-6-4-5-11(14)13(12)15-3/h4-6,9-10,15-16H,7-8,14H2,1-3H3
InChIKeyHHMGMDCBDMCUBC-UHFFFAOYSA-N
XLogP1.50
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572
5-(3,5-dimethylpiperazin-1-yl)-2-methylquinoline
CID 72527043
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
2-(3,5-dimethylpiperazin-1-yl)-5-nitroaniline
CID 171982408
3,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 66273910
(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one
CID 58655897
1-(4-chlorophenyl)-3,5-dimethylpiperazine
CID 22633049
2-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)aniline
CID 84777504
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine (CID 144702879) is 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine is CNc1c(N)cccc1N1CC(C)NC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is HHMGMDCBDMCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-7-17(8-10(2)16-9)12-6-4-5-11(14)13(12)15-3/h4-6,9-10,15-16H,7-8,14H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine?
3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 144702879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).