cyclobutyl 4-methylpiperazine-1-carboxylate

C10H18N2O2 — CID 131024600

IUPACcyclobutyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2CCC2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-5-7-12(8-6-11)10(13)14-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyHPMGOZDPDOYNJJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.92
Rot. Bonds1

About cyclobutyl 4-methylpiperazine-1-carboxylate

cyclobutyl 4-methylpiperazine-1-carboxylate (PubChem CID 131024600) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is cyclobutyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-methylpiperazine-1-carboxylate
PubChem CID131024600
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namecyclobutyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2CCC2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-5-7-12(8-6-11)10(13)14-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyHPMGOZDPDOYNJJ-UHFFFAOYSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 4,4-dimethylpiperidine-1-carboxylate
CID 165444759
(3-aminocyclohexyl) pyrrolidine-1-carboxylate
CID 79465438
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
cyclohexylmethyl 4-methylpiperazine-1-carboxylate
CID 71187962
1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid
CID 18722245
[4-[(2S)-2-amino-3-cyclopentyloxy-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 142677588
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
[5-[4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 18397349
[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate
CID 54243068
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
5-(1-cyclopentyloxycarbonylpiperidin-4-yl)-1-methyltriazole-4-carboxylic acid
CID 138005754

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of cyclobutyl 4-methylpiperazine-1-carboxylate (CID 131024600) is cyclobutyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for cyclobutyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for cyclobutyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC2CCC2)CC1.
What is the InChIKey of cyclobutyl 4-methylpiperazine-1-carboxylate?
The InChIKey is HPMGOZDPDOYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-5-7-12(8-6-11)10(13)14-9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of cyclobutyl 4-methylpiperazine-1-carboxylate?
cyclobutyl 4-methylpiperazine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 131024600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).