2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine

C13H22N4 — CID 22184577

IUPAC2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCN(CCNc2ccccc2N)CC1
InChIInChI=1S/C13H22N4/c1-16-8-10-17(11-9-16)7-6-15-13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3
InChIKeyLSJRZEDIWKISPP-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.93
Rot. Bonds4

About 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine

2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine (PubChem CID 22184577) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
PubChem CID22184577
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
SMILESCN1CCN(CCNc2ccccc2N)CC1
InChIInChI=1S/C13H22N4/c1-16-8-10-17(11-9-16)7-6-15-13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3
InChIKeyLSJRZEDIWKISPP-UHFFFAOYSA-N
XLogP0.93
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
CID 54861120
5-N-[2-(4-methylpiperazin-1-yl)ethyl]isoquinoline-5,8-diamine
CID 60924256
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfanylaniline
CID 10601342
6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
CID 79826230
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine (CID 22184577) is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine is CN1CCN(CCNc2ccccc2N)CC1.
What is the InChIKey of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine?
The InChIKey is LSJRZEDIWKISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-8-10-17(11-9-16)7-6-15-13-5-3-2-4-12(13)14/h2-5,15H,6-11,14H2,1H3.
What are the key properties of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine?
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 22184577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).