tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate

C11H23N2O2+ — CID 34180306

IUPACtert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)CC[NH2+]1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3/p+1
InChIKeyLBAIYWWWORXVEQ-UHFFFAOYSA-O
MW215.32 g/mol
LogP0.58
Rot. Bonds

About tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate

tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate (PubChem CID 34180306) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate
PubChem CID34180306
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Nametert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)CC[NH2+]1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3/p+1
InChIKeyLBAIYWWWORXVEQ-UHFFFAOYSA-O
XLogP0.58
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
CID 124562501
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 3-(1-iodoethenyl)-3-methylazetidine-1-carboxylate
CID 90219761
tert-butyl 3-ethynyl-3-methylpyrrolidine-1-carboxylate;ethane
CID 171093014
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate?
The IUPAC name of tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate (CID 34180306) is tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate is CC1(C)CN(C(=O)OC(C)(C)C)CC[NH2+]1.
What is the InChIKey of tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate?
The InChIKey is LBAIYWWWORXVEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13/h12H,6-8H2,1-5H3/p+1.
What are the key properties of tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate?
tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate has a molecular weight of 215.32 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dimethylpiperazin-4-ium-1-carboxylate is sourced from PubChem (CID 34180306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).