1,3,3-trimethylpiperazine

C7H16N2 — CID 22367738

IUPAC1,3,3-trimethylpiperazine
SMILESCN1CCNC(C)(C)C1
InChIInChI=1S/C7H16N2/c1-7(2)6-9(3)5-4-8-7/h8H,4-6H2,1-3H3
InChIKeyKVWMFPQRDKFZMP-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.30
Rot. Bonds

About 1,3,3-trimethylpiperazine

1,3,3-trimethylpiperazine (PubChem CID 22367738) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,3,3-trimethylpiperazine.

Molecular Properties

Compound Name1,3,3-trimethylpiperazine
PubChem CID22367738
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1,3,3-trimethylpiperazine
SMILESCN1CCNC(C)(C)C1
InChIInChI=1S/C7H16N2/c1-7(2)6-9(3)5-4-8-7/h8H,4-6H2,1-3H3
InChIKeyKVWMFPQRDKFZMP-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpiperazine?
The IUPAC name of 1,3,3-trimethylpiperazine (CID 22367738) is 1,3,3-trimethylpiperazine.
What is the SMILES notation for 1,3,3-trimethylpiperazine?
The canonical SMILES for 1,3,3-trimethylpiperazine is CN1CCNC(C)(C)C1.
What is the InChIKey of 1,3,3-trimethylpiperazine?
The InChIKey is KVWMFPQRDKFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)6-9(3)5-4-8-7/h8H,4-6H2,1-3H3.
What are the key properties of 1,3,3-trimethylpiperazine?
1,3,3-trimethylpiperazine has a molecular weight of 128.22 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpiperazine is sourced from PubChem (CID 22367738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).