ditert-butyl 2-methylpiperazine-1,4-dicarboxylate

C15H28N2O4 — CID 23078619

IUPACditert-butyl 2-methylpiperazine-1,4-dicarboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
InChIKeyIMKNVNIIMKCRIO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.86
Rot. Bonds

About ditert-butyl 2-methylpiperazine-1,4-dicarboxylate

ditert-butyl 2-methylpiperazine-1,4-dicarboxylate (PubChem CID 23078619) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ditert-butyl 2-methylpiperazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2-methylpiperazine-1,4-dicarboxylate
PubChem CID23078619
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameditert-butyl 2-methylpiperazine-1,4-dicarboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
InChIKeyIMKNVNIIMKCRIO-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
(R)-1-Boc-3-methylpiperazine
CID 2756811
1,4-Piperazinedicarboxylic acid, 2-methyl-, diethyl ester
CID 95589
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
tert-Butyl 4-(prop-2-yn-1-yl)piperazine-1-carboxylate
CID 11287538
tert-Butyl 4-cyanopiperazine-1-carboxylate
CID 14068968
Tert-butyl 4-(1-cyano-1-methylethyl)piperazine-1-carboxylate
CID 57420353
tert-Butyl 2,3-dimethylpiperazine-1-carboxylate
CID 16740581
tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
CID 22625934
tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
CID 10262201

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-methylpiperazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl 2-methylpiperazine-1,4-dicarboxylate (CID 23078619) is ditert-butyl 2-methylpiperazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2-methylpiperazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2-methylpiperazine-1,4-dicarboxylate is CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-methylpiperazine-1,4-dicarboxylate?
The InChIKey is IMKNVNIIMKCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of ditert-butyl 2-methylpiperazine-1,4-dicarboxylate?
ditert-butyl 2-methylpiperazine-1,4-dicarboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-methylpiperazine-1,4-dicarboxylate is sourced from PubChem (CID 23078619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).