dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate

C12H22N2O4 — CID 175320362

IUPACdimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CN(CC(C)C)CCN1C(=O)OC
InChIInChI=1S/C12H22N2O4/c1-9(2)7-13-5-6-14(12(16)18-4)10(8-13)11(15)17-3/h9-10H,5-8H2,1-4H3
InChIKeyCOXCFZPYLKJAPH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.57
Rot. Bonds3

About dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate

dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate (PubChem CID 175320362) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate
PubChem CID175320362
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namedimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CN(CC(C)C)CCN1C(=O)OC
InChIInChI=1S/C12H22N2O4/c1-9(2)7-13-5-6-14(12(16)18-4)10(8-13)11(15)17-3/h9-10H,5-8H2,1-4H3
InChIKeyCOXCFZPYLKJAPH-UHFFFAOYSA-N
XLogP0.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperazine-2-carboxylic acid
CID 51440445
1-O-tert-butyl 2-O-methyl (2R)-4-[(4R)-3,3,4-trimethyl-5-oxohexyl]piperazine-1,2-dicarboxylate
CID 174069546
1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate
CID 170553356
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
1-O-tert-butyl 2-O-methyl 4-(2-methylpropanoyl)piperazine-1,2-dicarboxylate
CID 170758128
methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783614
1-O-benzyl 2-O-methyl 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1,2-dicarboxylate
CID 66568140
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
dimethyl (2S,5R)-5-methoxypiperidine-1,2-dicarboxylate
CID 139799351
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate (CID 175320362) is dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate is COC(=O)C1CN(CC(C)C)CCN1C(=O)OC.
What is the InChIKey of dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate?
The InChIKey is COXCFZPYLKJAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(2)7-13-5-6-14(12(16)18-4)10(8-13)11(15)17-3/h9-10H,5-8H2,1-4H3.
What are the key properties of dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate?
dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2-methylpropyl)piperazine-1,2-dicarboxylate is sourced from PubChem (CID 175320362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).