1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine

C16H32N4 — CID 130429186

IUPAC1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
SMILESCC(CCN1CCN(C2CC2)CC1)N1CCN(C)CC1
InChIInChI=1S/C16H32N4/c1-15(19-11-7-17(2)8-12-19)5-6-18-9-13-20(14-10-18)16-3-4-16/h15-16H,3-14H2,1-2H3
InChIKeyHOLQVCQGTSWRGV-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.79
Rot. Bonds5

About 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine

1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine (PubChem CID 130429186) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
PubChem CID130429186
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
SMILESCC(CCN1CCN(C2CC2)CC1)N1CCN(C)CC1
InChIInChI=1S/C16H32N4/c1-15(19-11-7-17(2)8-12-19)5-6-18-9-13-20(14-10-18)16-3-4-16/h15-16H,3-14H2,1-2H3
InChIKeyHOLQVCQGTSWRGV-UHFFFAOYSA-N
XLogP0.79
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
3-(4-cyclopropylpiperazin-1-yl)butanenitrile
CID 61441190
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine?
The IUPAC name of 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine (CID 130429186) is 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine.
What is the SMILES notation for 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine?
The canonical SMILES for 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine is CC(CCN1CCN(C2CC2)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine?
The InChIKey is HOLQVCQGTSWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-15(19-11-7-17(2)8-12-19)5-6-18-9-13-20(14-10-18)16-3-4-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine?
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine has a molecular weight of 280.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine is sourced from PubChem (CID 130429186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).