1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine

C13H22N4 — CID 77131318

IUPAC1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
SMILESCN1CCN(c2ccccc2C(N)CN)CC1
InChIInChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)13-5-3-2-4-11(13)12(15)10-14/h2-5,12H,6-10,14-15H2,1H3
InChIKeyGPJYNWOKSNSRJS-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.40
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine

1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine (PubChem CID 77131318) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
PubChem CID77131318
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
SMILESCN1CCN(c2ccccc2C(N)CN)CC1
InChIInChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)13-5-3-2-4-11(13)12(15)10-14/h2-5,12H,6-10,14-15H2,1H3
InChIKeyGPJYNWOKSNSRJS-UHFFFAOYSA-N
XLogP0.40
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine (CID 77131318) is 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine is CN1CCN(c2ccccc2C(N)CN)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The InChIKey is GPJYNWOKSNSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)13-5-3-2-4-11(13)12(15)10-14/h2-5,12H,6-10,14-15H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 77131318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).