3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine

C15H32N4 — CID 129214659

IUPAC3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine
SMILESCC1CN(C(C)CC2CN(C(C)C)CCN2)CCN1
InChIInChI=1S/C15H32N4/c1-12(2)18-7-6-17-15(11-18)9-14(4)19-8-5-16-13(3)10-19/h12-17H,5-11H2,1-4H3
InChIKeyZYJMXQNJTBUQHF-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.74
Rot. Bonds4

About 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine

3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine (PubChem CID 129214659) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine
PubChem CID129214659
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine
SMILESCC1CN(C(C)CC2CN(C(C)C)CCN2)CCN1
InChIInChI=1S/C15H32N4/c1-12(2)18-7-6-17-15(11-18)9-14(4)19-8-5-16-13(3)10-19/h12-17H,5-11H2,1-4H3
InChIKeyZYJMXQNJTBUQHF-UHFFFAOYSA-N
XLogP0.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine?
The IUPAC name of 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine (CID 129214659) is 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine.
What is the SMILES notation for 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine?
The canonical SMILES for 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine is CC1CN(C(C)CC2CN(C(C)C)CCN2)CCN1.
What is the InChIKey of 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine?
The InChIKey is ZYJMXQNJTBUQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12(2)18-7-6-17-15(11-18)9-14(4)19-8-5-16-13(3)10-19/h12-17H,5-11H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine?
3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine has a molecular weight of 268.45 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-propan-2-ylpiperazin-2-yl)propan-2-yl]piperazine is sourced from PubChem (CID 129214659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).