methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate

C13H26N2O2 — CID 120843271

IUPACmethyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)CCN1CCNC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-10-11(2)15(9-7-14-10)8-6-13(3,4)12(16)17-5/h10-11,14H,6-9H2,1-5H3
InChIKeyXDICHNCEUSKZHN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds4

About methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate

methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate (PubChem CID 120843271) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
PubChem CID120843271
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
SMILESCOC(=O)C(C)(C)CCN1CCNC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-10-11(2)15(9-7-14-10)8-6-13(3,4)12(16)17-5/h10-11,14H,6-9H2,1-5H3
InChIKeyXDICHNCEUSKZHN-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanoate;hydrochloride
CID 120837084
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
CID 67575967
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476
methyl 4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 55062051
methyl 3-(2,5-dimethylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79619817
N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 10888935
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621412
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
CID 120843527
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
CID 120837971

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate?
The IUPAC name of methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate (CID 120843271) is methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate.
What is the SMILES notation for methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate?
The canonical SMILES for methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate is COC(=O)C(C)(C)CCN1CCNC(C)C1C.
What is the InChIKey of methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate?
The InChIKey is XDICHNCEUSKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-11(2)15(9-7-14-10)8-6-13(3,4)12(16)17-5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate?
methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate is sourced from PubChem (CID 120843271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).