1,3,3-trimethylpiperazin-2-one;hydrochloride

C7H15ClN2O — CID 68554123

IUPAC1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCN1CCNC(C)(C)C1=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-7(2)6(10)9(3)5-4-8-7;/h8H,4-5H2,1-3H3;1H
InChIKeyNTLTZZRCZFKPCN-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.25
Rot. Bonds

About 1,3,3-trimethylpiperazin-2-one;hydrochloride

1,3,3-trimethylpiperazin-2-one;hydrochloride (PubChem CID 68554123) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1,3,3-trimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1,3,3-trimethylpiperazin-2-one;hydrochloride
PubChem CID68554123
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1,3,3-trimethylpiperazin-2-one;hydrochloride
SMILESCN1CCNC(C)(C)C1=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-7(2)6(10)9(3)5-4-8-7;/h8H,4-5H2,1-3H3;1H
InChIKeyNTLTZZRCZFKPCN-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
Alanine anhydride, trans-(A+-)-
CID 676438
1-(Piperazin-1-yl)propan-1-one
CID 3844375
3-Ethylpiperazin-2-one
CID 4712457
D-Alanine anhydride
CID 676439
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
Cyclo(-ala-gly)
CID 7408474
2,3-Piperazinedione, 1-propyl-
CID 3042434
(3R)-3-methylpiperazin-2-one
CID 16213757

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 1,3,3-trimethylpiperazin-2-one;hydrochloride (CID 68554123) is 1,3,3-trimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 1,3,3-trimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 1,3,3-trimethylpiperazin-2-one;hydrochloride is CN1CCNC(C)(C)C1=O.Cl.
What is the InChIKey of 1,3,3-trimethylpiperazin-2-one;hydrochloride?
The InChIKey is NTLTZZRCZFKPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-7(2)6(10)9(3)5-4-8-7;/h8H,4-5H2,1-3H3;1H.
What are the key properties of 1,3,3-trimethylpiperazin-2-one;hydrochloride?
1,3,3-trimethylpiperazin-2-one;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 68554123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).