dimethyl 2-(4-methylpiperazin-1-yl)butanedioate

C11H20N2O4 — CID 4896716

IUPACdimethyl 2-(4-methylpiperazin-1-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCN(C)CC1
InChIInChI=1S/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3
InChIKeyBLNNPVDNQHUGIE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.66
Rot. Bonds4

About dimethyl 2-(4-methylpiperazin-1-yl)butanedioate

dimethyl 2-(4-methylpiperazin-1-yl)butanedioate (PubChem CID 4896716) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is dimethyl 2-(4-methylpiperazin-1-yl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(4-methylpiperazin-1-yl)butanedioate
PubChem CID4896716
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namedimethyl 2-(4-methylpiperazin-1-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCN(C)CC1
InChIInChI=1S/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3
InChIKeyBLNNPVDNQHUGIE-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Dimethyl 2-(4-(ethoxycarbonyl)piperazin-1-yl)succinate
CID 16462813
Methyl 1,4-dimethylpiperazine-2-carboxylate
CID 12295734
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790
N,N-diethyl-d,l-aspartic acid dimethyl ester
CID 18801788
Diethyl 2-(piperidin-1-yl)butanedioate
CID 284952
Dimethyl 2-[4-(3-methoxy-1-methoxycarbonyl-3-oxo-propyl)piperazin-1-yl]butanedioate
CID 458613
1,4-Dimethyl (2S)-2-(dimethylamino)butanedioate
CID 4712675
Maleic acid + morpholine
CID 7060825
1-O-ethyl 4-O-methyl 2-methyl-3-morpholin-4-ylbutanedioate
CID 74936058

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-methylpiperazin-1-yl)butanedioate?
The IUPAC name of dimethyl 2-(4-methylpiperazin-1-yl)butanedioate (CID 4896716) is dimethyl 2-(4-methylpiperazin-1-yl)butanedioate.
What is the SMILES notation for dimethyl 2-(4-methylpiperazin-1-yl)butanedioate?
The canonical SMILES for dimethyl 2-(4-methylpiperazin-1-yl)butanedioate is COC(=O)CC(C(=O)OC)N1CCN(C)CC1.
What is the InChIKey of dimethyl 2-(4-methylpiperazin-1-yl)butanedioate?
The InChIKey is BLNNPVDNQHUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3.
What are the key properties of dimethyl 2-(4-methylpiperazin-1-yl)butanedioate?
dimethyl 2-(4-methylpiperazin-1-yl)butanedioate has a molecular weight of 244.29 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-methylpiperazin-1-yl)butanedioate is sourced from PubChem (CID 4896716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).