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

C11H24Cl2N2O2 — CID 146243673

IUPACethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCNCC1(C)C.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-4-15-10(14)5-7-13-8-6-12-9-11(13,2)3;;/h12H,4-9H2,1-3H3;2*1H
InChIKeyDKDDJRRSEOPJKI-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.47
Rot. Bonds4

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

ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride (PubChem CID 146243673) has the molecular formula C11H24Cl2N2O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
PubChem CID146243673
Molecular FormulaC11H24Cl2N2O2
Molecular Weight287.23 g/mol
Exact Mass286.12
IUPAC Nameethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
SMILESCCOC(=O)CCN1CCNCC1(C)C.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-4-15-10(14)5-7-13-8-6-12-9-11(13,2)3;;/h12H,4-9H2,1-3H3;2*1H
InChIKeyDKDDJRRSEOPJKI-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
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CID 132559455
1-ethyl-2,2-dimethylpiperazine;dihydrochloride
CID 53398810
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
N-carbamoyl-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65463600
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
ethyl 2-[(2,2-dimethylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 65461769
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
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ethyl 3-(2-piperazin-1-ylethylamino)propanoate
CID 54544450

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The IUPAC name of ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride (CID 146243673) is ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride.
What is the SMILES notation for ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The canonical SMILES for ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride is CCOC(=O)CCN1CCNCC1(C)C.Cl.Cl.
What is the InChIKey of ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
The InChIKey is DKDDJRRSEOPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2ClH/c1-4-15-10(14)5-7-13-8-6-12-9-11(13,2)3;;/h12H,4-9H2,1-3H3;2*1H.
What are the key properties of ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride?
ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride is sourced from PubChem (CID 146243673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).