(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate

C11H22N2O2 — CID 174609273

IUPAC(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCNCC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3
InChIKeyNBHGOFXAVCSKTJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.17
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate

(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174609273) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate
PubChem CID174609273
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCNCC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3
InChIKeyNBHGOFXAVCSKTJ-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65461988
[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
CID 153408592
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
[4-(piperidine-4-carbonyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 175276230
methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
CID 174695891
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate (CID 174609273) is (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCNCC1(C)C.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is NBHGOFXAVCSKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)9(14)15-13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate?
(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174609273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).