2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine

C17H28N4 — CID 175508761

IUPAC2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine
SMILESCC1CN(C)CCN1c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C17H28N4/c1-15-14-19(3)9-12-21(15)17-6-4-5-16(13-17)20-10-7-18(2)8-11-20/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeySSOYGDRAZZBQLU-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.58
Rot. Bonds2

About 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine

2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine (PubChem CID 175508761) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine
PubChem CID175508761
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine
SMILESCC1CN(C)CCN1c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C17H28N4/c1-15-14-19(3)9-12-21(15)17-6-4-5-16(13-17)20-10-7-18(2)8-11-20/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeySSOYGDRAZZBQLU-UHFFFAOYSA-N
XLogP1.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine?
The IUPAC name of 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine (CID 175508761) is 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine.
What is the SMILES notation for 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine?
The canonical SMILES for 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine is CC1CN(C)CCN1c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine?
The InChIKey is SSOYGDRAZZBQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-14-19(3)9-12-21(15)17-6-4-5-16(13-17)20-10-7-18(2)8-11-20/h4-6,13,15H,7-12,14H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine?
2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine is sourced from PubChem (CID 175508761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).