2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride

C13H26ClN3O2 — CID 120835931

IUPAC2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CCC1CCOC1)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-15(6-2-12-3-9-18-11-12)10-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H
InChIKeyHQTWNNBLLXEHIR-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.20
Rot. Bonds5

About 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 120835931) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID120835931
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CCC1CCOC1)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-15(6-2-12-3-9-18-11-12)10-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H
InChIKeyHQTWNNBLLXEHIR-UHFFFAOYSA-N
XLogP0.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
3-(oxolan-3-yl)-1-piperazin-1-ylpropane-1,2-dione
CID 82509862
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
CID 115235227
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride (CID 120835931) is 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride is CN(CCC1CCOC1)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is HQTWNNBLLXEHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-15(6-2-12-3-9-18-11-12)10-13(17)16-7-4-14-5-8-16;/h12,14H,2-11H2,1H3;1H.
What are the key properties of 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 120835931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).