1,4-dimethylpiperazine;ethane;1-methylpiperidine

C16H39N3 — CID 170707096

IUPAC1,4-dimethylpiperazine;ethane;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2*1-2H3
InChIKeyZWHPWGARHHDZSV-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.02
Rot. Bonds

About 1,4-dimethylpiperazine;ethane;1-methylpiperidine

1,4-dimethylpiperazine;ethane;1-methylpiperidine (PubChem CID 170707096) has the molecular formula C16H39N3 and a molecular weight of 273.51 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;1-methylpiperidine
PubChem CID170707096
Molecular FormulaC16H39N3
Molecular Weight273.51 g/mol
Exact Mass273.31
IUPAC Name1,4-dimethylpiperazine;ethane;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2*1-2H3
InChIKeyZWHPWGARHHDZSV-UHFFFAOYSA-N
XLogP3.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethylpiperazine;ethane;1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
azane;ethane;methane;1-methylpiperidine
CID 159571038
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
ethane;methanol;1-methylazepane
CID 171650925
methane;tris(1-methylpiperidine)
CID 162076357

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;1-methylpiperidine (CID 170707096) is 1,4-dimethylpiperazine;ethane;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;1-methylpiperidine is CC.CC.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The InChIKey is ZWHPWGARHHDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;1-methylpiperidine?
1,4-dimethylpiperazine;ethane;1-methylpiperidine has a molecular weight of 273.51 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;1-methylpiperidine is sourced from PubChem (CID 170707096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).