6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C118H237F11N14O — CID 159694658

IUPAC6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C(F)CNCC1F.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1CCNC1.CC(C)C1CNCC1(C)F.CC(C)C1CNCC1F
InChIInChI=1S/2C10H21N.2C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H16FN.C8H17NO.C8H17N.2C7H14FN.C7H15N/c2*1-9(2,3)10(4)5-7-11-8-6-10;1-9(2,3)8-6(10)4-12-5-7(8)11;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-6(2)7-4-10-5-8(7,3)9;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h2*11H,5-8H2,1-4H3;6-8,12H,4-5H2,1-3H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;6-7,10H,4-5H2,1-3H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyMWVWSDPGUKPEHR-UHFFFAOYSA-N
MW2077.27 g/mol
LogP24.94
Rot. Bonds6

About 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine

6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 159694658) has the molecular formula C118H237F11N14O and a molecular weight of 2077.27 g/mol. Its IUPAC name is 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID159694658
Molecular FormulaC118H237F11N14O
Molecular Weight2077.27 g/mol
Exact Mass2075.87
IUPAC Name6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C(F)CNCC1F.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1CCNC1.CC(C)C1CNCC1(C)F.CC(C)C1CNCC1F
InChIInChI=1S/2C10H21N.2C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H16FN.C8H17NO.C8H17N.2C7H14FN.C7H15N/c2*1-9(2,3)10(4)5-7-11-8-6-10;1-9(2,3)8-6(10)4-12-5-7(8)11;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-6(2)7-4-10-5-8(7,3)9;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h2*11H,5-8H2,1-4H3;6-8,12H,4-5H2,1-3H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;6-7,10H,4-5H2,1-3H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyMWVWSDPGUKPEHR-UHFFFAOYSA-N
XLogP24.94
TPSA177.65 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.27
LogP ≤ 524.94
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine 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 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 159694658) is 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(C)CCNCC1.CC(C)(C)C1(F)CCNCC1.CC(C)(C)C1C(F)CNCC1F.CC(C)(C)C1C2CNCC21.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCNCC1(F)F.CC(C)(C)C1CNCCO1.CC(C)C1(C(F)(F)F)CCNC1.CC(C)C1(C)CCNC1.CC(C)C1(F)CCNC1.CC(C)C1CCNC1.CC(C)C1CNCC1(C)F.CC(C)C1CNCC1F.
What is the InChIKey of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is MWVWSDPGUKPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21N.2C9H17F2N.C9H18FN.C9H17N.C9H19N.C8H14F3N.C8H16FN.C8H17NO.C8H17N.2C7H14FN.C7H15N/c2*1-9(2,3)10(4)5-7-11-8-6-10;1-9(2,3)8-6(10)4-12-5-7(8)11;1-8(2,3)7-4-5-12-6-9(7,10)11;1-8(2,3)9(10)4-6-11-7-5-9;1-9(2,3)8-6-4-10-5-7(6)8;1-9(2,3)8-4-6-10-7-5-8;1-6(2)7(8(9,10)11)3-4-12-5-7;1-6(2)7-4-10-5-8(7,3)9;1-8(2,3)7-6-9-4-5-10-7;1-7(2)8(3)4-5-9-6-8;1-5(2)6-3-9-4-7(6)8;1-6(2)7(8)3-4-9-5-7;1-6(2)7-3-4-8-5-7/h2*11H,5-8H2,1-4H3;6-8,12H,4-5H2,1-3H3;7,12H,4-6H2,1-3H3;11H,4-7H2,1-3H3;6-8,10H,4-5H2,1-3H3;8,10H,4-7H2,1-3H3;6,12H,3-5H2,1-2H3;6-7,10H,4-5H2,1-3H3;7,9H,4-6H2,1-3H3;7,9H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;6,9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 2077.27 g/mol, XLogP of 24.94, 6 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-3,3-difluoropiperidine;4-tert-butyl-3,5-difluoropiperidine;4-tert-butyl-4-fluoropiperidine;bis(4-tert-butyl-4-methylpiperidine);2-tert-butylmorpholine;4-tert-butylpiperidine;3-fluoro-3-methyl-4-propan-2-ylpyrrolidine;3-fluoro-3-propan-2-ylpyrrolidine;3-fluoro-4-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;3-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 159694658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).