1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

C66H132F6N6O — CID 158901396

IUPAC1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H15F3.3C9H19N.C8H13F3.C8H17N.C7H15NO.C7H15N/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-6H2,1-3H3;4-8H2,1-3H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJFMJGPHZVATVFH-UHFFFAOYSA-N
MW1139.81 g/mol
LogP17.62
Rot. Bonds9

About 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (PubChem CID 158901396) has the molecular formula C66H132F6N6O and a molecular weight of 1139.81 g/mol. Its IUPAC name is 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
PubChem CID158901396
Molecular FormulaC66H132F6N6O
Molecular Weight1139.81 g/mol
Exact Mass1139.04
IUPAC Name1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/C9H15F3.3C9H19N.C8H13F3.C8H17N.C7H15NO.C7H15N/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-6H2,1-3H3;4-8H2,1-3H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJFMJGPHZVATVFH-UHFFFAOYSA-N
XLogP17.62
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.81
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (CID 158901396) is 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The InChIKey is JFMJGPHZVATVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3.3C9H19N.C8H13F3.C8H17N.C7H15NO.C7H15N/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h4-6H2,1-3H3;4-8H2,1-3H3;2*9H,3-8H2,1-2H3;4-5H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine has a molecular weight of 1139.81 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158901396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).