2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine

C23H42N4 — CID 54221238

IUPAC2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine
SMILESCCCCCN(CCCCC)NC1(c2ccc(C)c(C)c2)CN(C)CCN1
InChIInChI=1S/C23H42N4/c1-6-8-10-15-27(16-11-9-7-2)25-23(19-26(5)17-14-24-23)22-13-12-20(3)21(4)18-22/h12-13,18,24-25H,6-11,14-17,19H2,1-5H3
InChIKeyANTLXQOWAJPSKY-UHFFFAOYSA-N
MW374.62 g/mol
LogP4.18
Rot. Bonds11

About 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine

2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine (PubChem CID 54221238) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine
PubChem CID54221238
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine
SMILESCCCCCN(CCCCC)NC1(c2ccc(C)c(C)c2)CN(C)CCN1
InChIInChI=1S/C23H42N4/c1-6-8-10-15-27(16-11-9-7-2)25-23(19-26(5)17-14-24-23)22-13-12-20(3)21(4)18-22/h12-13,18,24-25H,6-11,14-17,19H2,1-5H3
InChIKeyANTLXQOWAJPSKY-UHFFFAOYSA-N
XLogP4.18
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine (CID 54221238) is 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine is CCCCCN(CCCCC)NC1(c2ccc(C)c(C)c2)CN(C)CCN1.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine?
The InChIKey is ANTLXQOWAJPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4/c1-6-8-10-15-27(16-11-9-7-2)25-23(19-26(5)17-14-24-23)22-13-12-20(3)21(4)18-22/h12-13,18,24-25H,6-11,14-17,19H2,1-5H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine?
2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine has a molecular weight of 374.62 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-4-methylpiperazin-2-yl]-1,1-dipentylhydrazine is sourced from PubChem (CID 54221238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).