3,3,4-trimethylpiperazin-2-ol

C7H16N2O — CID 146539557

IUPAC3,3,4-trimethylpiperazin-2-ol
SMILESCN1CCNC(O)C1(C)C
InChIInChI=1S/C7H16N2O/c1-7(2)6(10)8-4-5-9(7)3/h6,8,10H,4-5H2,1-3H3
InChIKeyQUXZVTSWOPPUCE-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.38
Rot. Bonds

About 3,3,4-trimethylpiperazin-2-ol

3,3,4-trimethylpiperazin-2-ol (PubChem CID 146539557) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3,3,4-trimethylpiperazin-2-ol.

Molecular Properties

Compound Name3,3,4-trimethylpiperazin-2-ol
PubChem CID146539557
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3,3,4-trimethylpiperazin-2-ol
SMILESCN1CCNC(O)C1(C)C
InChIInChI=1S/C7H16N2O/c1-7(2)6(10)8-4-5-9(7)3/h6,8,10H,4-5H2,1-3H3
InChIKeyQUXZVTSWOPPUCE-UHFFFAOYSA-N
XLogP-0.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylpiperazin-2-ol?
The IUPAC name of 3,3,4-trimethylpiperazin-2-ol (CID 146539557) is 3,3,4-trimethylpiperazin-2-ol.
What is the SMILES notation for 3,3,4-trimethylpiperazin-2-ol?
The canonical SMILES for 3,3,4-trimethylpiperazin-2-ol is CN1CCNC(O)C1(C)C.
What is the InChIKey of 3,3,4-trimethylpiperazin-2-ol?
The InChIKey is QUXZVTSWOPPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2)6(10)8-4-5-9(7)3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 3,3,4-trimethylpiperazin-2-ol?
3,3,4-trimethylpiperazin-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylpiperazin-2-ol is sourced from PubChem (CID 146539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).