1,2,3-tritert-butylpiperazine

C16H34N2 — CID 166024715

IUPAC1,2,3-tritert-butylpiperazine
SMILESCC(C)(C)C1NCCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(2,3)12-13(15(4,5)6)18(11-10-17-12)16(7,8)9/h12-13,17H,10-11H2,1-9H3
InChIKeyQHCUBYLPJQHBCM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds

About 1,2,3-tritert-butylpiperazine

1,2,3-tritert-butylpiperazine (PubChem CID 166024715) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1,2,3-tritert-butylpiperazine.

Molecular Properties

Compound Name1,2,3-tritert-butylpiperazine
PubChem CID166024715
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1,2,3-tritert-butylpiperazine
SMILESCC(C)(C)C1NCCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(2,3)12-13(15(4,5)6)18(11-10-17-12)16(7,8)9/h12-13,17H,10-11H2,1-9H3
InChIKeyQHCUBYLPJQHBCM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tritert-butylpiperazine?
The IUPAC name of 1,2,3-tritert-butylpiperazine (CID 166024715) is 1,2,3-tritert-butylpiperazine.
What is the SMILES notation for 1,2,3-tritert-butylpiperazine?
The canonical SMILES for 1,2,3-tritert-butylpiperazine is CC(C)(C)C1NCCN(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,2,3-tritert-butylpiperazine?
The InChIKey is QHCUBYLPJQHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2,3)12-13(15(4,5)6)18(11-10-17-12)16(7,8)9/h12-13,17H,10-11H2,1-9H3.
What are the key properties of 1,2,3-tritert-butylpiperazine?
1,2,3-tritert-butylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tritert-butylpiperazine is sourced from PubChem (CID 166024715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).