4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride

C10H22ClN3O — CID 131089454

IUPAC4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CC(C)(C)N.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-4-8-9(14)12-5-6-13(8)7-10(2,3)11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H
InChIKeyKYRRXYANFYKAJO-UHFFFAOYSA-N
MW235.76 g/mol
LogP0.36
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride

4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride (PubChem CID 131089454) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
PubChem CID131089454
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CC(C)(C)N.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-4-8-9(14)12-5-6-13(8)7-10(2,3)11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H
InChIKeyKYRRXYANFYKAJO-UHFFFAOYSA-N
XLogP0.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
CID 104523184
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767
3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
CID 104870196
4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
CID 120981528
3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
CID 120899902
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80613683
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride (CID 131089454) is 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride is CCC1C(=O)NCCN1CC(C)(C)N.Cl.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride?
The InChIKey is KYRRXYANFYKAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-4-8-9(14)12-5-6-13(8)7-10(2,3)11;/h8H,4-7,11H2,1-3H3,(H,12,14);1H.
What are the key properties of 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride?
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 131089454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).