methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride

C10H22Cl2N2O2 — CID 174695891

IUPACmethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCNCC1(C)C.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2)8-11-5-7-12(10)6-4-9(13)14-3;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyCKNXSEKENWGZFE-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.08
Rot. Bonds3

About methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride

methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride (PubChem CID 174695891) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
PubChem CID174695891
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Namemethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
SMILESCOC(=O)CCN1CCNCC1(C)C.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-10(2)8-11-5-7-12(10)6-4-9(13)14-3;;/h11H,4-8H2,1-3H3;2*1H
InChIKeyCKNXSEKENWGZFE-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
CID 146243673
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
CID 61433080
1-ethyl-2,2-dimethylpiperazine;dihydrochloride
CID 53398810
N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65462769
N-(3-chlorophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65462766
N-carbamoyl-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65463600
2-(2,2-dimethylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 65462175
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 65460562
1-(2,2-dimethylpiperazin-1-yl)-3-methoxypropan-2-ol
CID 65460991
methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 63143846
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 65462771
methyl 3-(3-prop-2-enylpiperidin-3-yl)propanoate
CID 123836616

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The IUPAC name of methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride (CID 174695891) is methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The canonical SMILES for methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride is COC(=O)CCN1CCNCC1(C)C.Cl.Cl.
What is the InChIKey of methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The InChIKey is CKNXSEKENWGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-10(2)8-11-5-7-12(10)6-4-9(13)14-3;;/h11H,4-8H2,1-3H3;2*1H.
What are the key properties of methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride is sourced from PubChem (CID 174695891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).