1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine

C17H36N4 — CID 146233129

IUPAC1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCC(CCC(C)N1CCN(C)CC1)CN1CCN(C)CC1
InChIInChI=1S/C17H36N4/c1-16(15-20-11-7-18(3)8-12-20)5-6-17(2)21-13-9-19(4)10-14-21/h16-17H,5-15H2,1-4H3
InChIKeyBTIYPZYFYIDUSP-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.29
Rot. Bonds6

About 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine

1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine (PubChem CID 146233129) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
PubChem CID146233129
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCC(CCC(C)N1CCN(C)CC1)CN1CCN(C)CC1
InChIInChI=1S/C17H36N4/c1-16(15-20-11-7-18(3)8-12-20)5-6-17(2)21-13-9-19(4)10-14-21/h16-17H,5-15H2,1-4H3
InChIKeyBTIYPZYFYIDUSP-UHFFFAOYSA-N
XLogP1.29
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
CID 130429186
N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
CID 171788933
butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
CID 171788496
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232
2-methyl-3-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62438498
1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
CID 82511442
iron(6+);(2S)-1-[4-methyl-7-[(2S)-2-oxidopropyl]-1,4,7-triazonan-1-yl]propan-2-olate
CID 153461646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine (CID 146233129) is 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine is CC(CCC(C)N1CCN(C)CC1)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine?
The InChIKey is BTIYPZYFYIDUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-16(15-20-11-7-18(3)8-12-20)5-6-17(2)21-13-9-19(4)10-14-21/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine?
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine has a molecular weight of 296.50 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine is sourced from PubChem (CID 146233129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).