2-tert-butyl-4-cyclobutyl-1-methylpiperazine

C13H26N2 — CID 134195464

IUPAC2-tert-butyl-4-cyclobutyl-1-methylpiperazine
SMILESCN1CCN(C2CCC2)CC1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h11-12H,5-10H2,1-4H3
InChIKeyOIISVXJQCOMFIN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds1

About 2-tert-butyl-4-cyclobutyl-1-methylpiperazine

2-tert-butyl-4-cyclobutyl-1-methylpiperazine (PubChem CID 134195464) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclobutyl-1-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-4-cyclobutyl-1-methylpiperazine
PubChem CID134195464
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-tert-butyl-4-cyclobutyl-1-methylpiperazine
SMILESCN1CCN(C2CCC2)CC1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h11-12H,5-10H2,1-4H3
InChIKeyOIISVXJQCOMFIN-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
(2S)-2-tert-butyl-1-cyclobutylpyrrolidine
CID 167335912
1,2-dimethyl-4-(4-methylcyclohexyl)piperazine
CID 152789623
3-tert-butyl-1-cyclohexylazetidine
CID 122606400
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975
(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 71444298
2-tert-butyl-1-cyclopentylpiperidine
CID 58564040
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163068365
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
CID 65095184
1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
CID 79880572
7-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 168880333

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclobutyl-1-methylpiperazine?
The IUPAC name of 2-tert-butyl-4-cyclobutyl-1-methylpiperazine (CID 134195464) is 2-tert-butyl-4-cyclobutyl-1-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-4-cyclobutyl-1-methylpiperazine?
The canonical SMILES for 2-tert-butyl-4-cyclobutyl-1-methylpiperazine is CN1CCN(C2CCC2)CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-cyclobutyl-1-methylpiperazine?
The InChIKey is OIISVXJQCOMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)12-10-15(9-8-14(12)4)11-6-5-7-11/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-4-cyclobutyl-1-methylpiperazine?
2-tert-butyl-4-cyclobutyl-1-methylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclobutyl-1-methylpiperazine is sourced from PubChem (CID 134195464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).