1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine

C14H30N4 — CID 54983611

IUPAC1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
SMILESCC(C)(C)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-14(2,3)18-12-10-17(11-13-18)9-8-16-6-4-15-5-7-16/h15H,4-13H2,1-3H3
InChIKeyLFPVOUQCBIDUAL-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds3

About 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine

1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine (PubChem CID 54983611) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
PubChem CID54983611
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
SMILESCC(C)(C)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-14(2,3)18-12-10-17(11-13-18)9-8-16-6-4-15-5-7-16/h15H,4-13H2,1-3H3
InChIKeyLFPVOUQCBIDUAL-UHFFFAOYSA-N
XLogP0.31
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine (CID 54983611) is 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine is CC(C)(C)N1CCN(CCN2CCNCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine?
The InChIKey is LFPVOUQCBIDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-14(2,3)18-12-10-17(11-13-18)9-8-16-6-4-15-5-7-16/h15H,4-13H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine?
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine is sourced from PubChem (CID 54983611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).