1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine

C54H111F3N6O — CID 157201065

IUPAC1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1C(F)(F)F.CC(C)(C)N1CCOCC1.CC1CCCCN1C(C)(C)C.CC1CCCN1C(C)(C)C
InChIInChI=1S/C10H18F3N.C10H21N.2C9H19N.C8H17NO.C8H17N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13;1-9-7-5-6-8-11(9)10(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h8H,4-7H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAQUMRGVOCYUXIM-UHFFFAOYSA-N
MW917.52 g/mol
LogP13.40
Rot. Bonds

About 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine

1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine (PubChem CID 157201065) has the molecular formula C54H111F3N6O and a molecular weight of 917.52 g/mol. Its IUPAC name is 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine
PubChem CID157201065
Molecular FormulaC54H111F3N6O
Molecular Weight917.52 g/mol
Exact Mass916.88
IUPAC Name1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1C(F)(F)F.CC(C)(C)N1CCOCC1.CC1CCCCN1C(C)(C)C.CC1CCCN1C(C)(C)C
InChIInChI=1S/C10H18F3N.C10H21N.2C9H19N.C8H17NO.C8H17N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13;1-9-7-5-6-8-11(9)10(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h8H,4-7H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAQUMRGVOCYUXIM-UHFFFAOYSA-N
XLogP13.40
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.52
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine (CID 157201065) is 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1C(F)(F)F.CC(C)(C)N1CCOCC1.CC1CCCCN1C(C)(C)C.CC1CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine?
The InChIKey is AQUMRGVOCYUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N.C10H21N.2C9H19N.C8H17NO.C8H17N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13;1-9-7-5-6-8-11(9)10(2,3)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h8H,4-7H2,1-3H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine?
1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine has a molecular weight of 917.52 g/mol, XLogP of 13.40, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 157201065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).