4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine

C46H95N5O — CID 161246581

IUPAC4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESC.C.CC(C)(C)C(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)C1(C)CCN(C2CCC2)CC1.CC1(N2CCN(C(C)(C)C(C)(C)C)CC2)COC1
InChIInChI=1S/C15H30N2O.C15H30N2.C14H27N.2CH4/c1-13(2,3)14(4,5)16-7-9-17(10-8-16)15(6)11-18-12-15;1-14(2,3)15(4,5)17-11-9-16(10-12-17)13-7-6-8-13;1-13(2,3)14(4)8-10-15(11-9-14)12-6-5-7-12;;/h7-12H2,1-6H3;13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;2*1H4
InChIKeyVASGWWXHVZCWFN-UHFFFAOYSA-N
MW734.30 g/mol
LogP10.16
Rot. Bonds5

About 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine

4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine (PubChem CID 161246581) has the molecular formula C46H95N5O and a molecular weight of 734.30 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
PubChem CID161246581
Molecular FormulaC46H95N5O
Molecular Weight734.30 g/mol
Exact Mass733.75
IUPAC Name4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine
SMILESC.C.CC(C)(C)C(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)C1(C)CCN(C2CCC2)CC1.CC1(N2CCN(C(C)(C)C(C)(C)C)CC2)COC1
InChIInChI=1S/C15H30N2O.C15H30N2.C14H27N.2CH4/c1-13(2,3)14(4,5)16-7-9-17(10-8-16)15(6)11-18-12-15;1-14(2,3)15(4,5)17-11-9-16(10-12-17)13-7-6-8-13;1-13(2,3)14(4)8-10-15(11-9-14)12-6-5-7-12;;/h7-12H2,1-6H3;13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;2*1H4
InChIKeyVASGWWXHVZCWFN-UHFFFAOYSA-N
XLogP10.16
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.30
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The IUPAC name of 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine (CID 161246581) is 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine.
What is the SMILES notation for 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The canonical SMILES for 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine is C.C.CC(C)(C)C(C)(C)N1CCN(C2CCC2)CC1.CC(C)(C)C1(C)CCN(C2CCC2)CC1.CC1(N2CCN(C(C)(C)C(C)(C)C)CC2)COC1.
What is the InChIKey of 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
The InChIKey is VASGWWXHVZCWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.C15H30N2.C14H27N.2CH4/c1-13(2,3)14(4,5)16-7-9-17(10-8-16)15(6)11-18-12-15;1-14(2,3)15(4,5)17-11-9-16(10-12-17)13-7-6-8-13;1-13(2,3)14(4)8-10-15(11-9-14)12-6-5-7-12;;/h7-12H2,1-6H3;13H,6-12H2,1-5H3;12H,5-11H2,1-4H3;2*1H4.
What are the key properties of 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine?
4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine has a molecular weight of 734.30 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclobutyl-4-methylpiperidine;1-cyclobutyl-4-(2,3,3-trimethylbutan-2-yl)piperazine;methane;1-(3-methyloxetan-3-yl)-4-(2,3,3-trimethylbutan-2-yl)piperazine is sourced from PubChem (CID 161246581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).