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

C15H32N4 — CID 170586361

IUPAC1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
SMILESCC(C)N1CCN(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2)19-13-11-18(12-14-19)6-4-5-17-9-7-16(3)8-10-17/h15H,4-14H2,1-3H3
InChIKeyWFWGTMWQRRXVLI-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.65
Rot. Bonds5

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

1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine (PubChem CID 170586361) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
PubChem CID170586361
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
SMILESCC(C)N1CCN(CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4/c1-15(2)19-13-11-18(12-14-19)6-4-5-17-9-7-16(3)8-10-17/h15H,4-14H2,1-3H3
InChIKeyWFWGTMWQRRXVLI-UHFFFAOYSA-N
XLogP0.65
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-propan-2-ylpiperazin-1-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine (CID 170586361) is 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine is CC(C)N1CCN(CCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine?
The InChIKey is WFWGTMWQRRXVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2)19-13-11-18(12-14-19)6-4-5-17-9-7-16(3)8-10-17/h15H,4-14H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine?
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine has a molecular weight of 268.45 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine is sourced from PubChem (CID 170586361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).