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

C15H30N4O2 — CID 19420472

IUPACtert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)21-14(20)19-12-10-18(11-13-19)9-8-17-6-4-16-5-7-17/h16H,4-13H2,1-3H3
InChIKeyIWBXAKBMGYBZJX-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.44
Rot. Bonds3

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

tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate (PubChem CID 19420472) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate
PubChem CID19420472
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nametert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)21-14(20)19-12-10-18(11-13-19)9-8-17-6-4-16-5-7-17/h16H,4-13H2,1-3H3
InChIKeyIWBXAKBMGYBZJX-UHFFFAOYSA-N
XLogP0.44
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate (CID 19420472) is tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCN2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate?
The InChIKey is IWBXAKBMGYBZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-15(2,3)21-14(20)19-12-10-18(11-13-19)9-8-17-6-4-16-5-7-17/h16H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-piperazin-1-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 19420472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).