1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride

C8H17ClN2O — CID 75481606

IUPAC1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCCN1CCNC(C)(C)C1=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-4-10-6-5-9-8(2,3)7(10)11;/h9H,4-6H2,1-3H3;1H
InChIKeyVCPQNIQRCKTFDB-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.64
Rot. Bonds1

About 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride

1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride (PubChem CID 75481606) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride
PubChem CID75481606
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCCN1CCNC(C)(C)C1=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-4-10-6-5-9-8(2,3)7(10)11;/h9H,4-6H2,1-3H3;1H
InChIKeyVCPQNIQRCKTFDB-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride (CID 75481606) is 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride is CCN1CCNC(C)(C)C1=O.Cl.
What is the InChIKey of 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride?
The InChIKey is VCPQNIQRCKTFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-4-10-6-5-9-8(2,3)7(10)11;/h9H,4-6H2,1-3H3;1H.
What are the key properties of 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride?
1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 75481606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).