2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

C143H291F4N13 — CID 157061027

About 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (PubChem CID 157061027) has the molecular formula C143H291F4N13 and a molecular weight of 2268.98 g/mol. Its IUPAC name is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
• PubChem CID: 157061027
• Molecular Formula: C143H291F4N13
• Molecular Weight: 2268.98 g/mol
• Exact Mass: 2267.31
• IUPAC Name: 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
• SMILES: CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.CC(C)(C)C1CCN(C(C)(C)C)C[C@@H]1F.CC(C)(C)C1CCN(C(C)(C)C)C[C@H]1F.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.C[C@@H]1CC(C(C)(C)C)CCN1C(C)(C)C
• InChI: InChI=1S/C14H30N2.C14H27N.C14H29N.C13H25F2N.2C13H26FN.C13H26N2.C13H27N.C12H26N2.C12H25N.C12H24/c1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15;2*1-12(2,3)10-7-8-15(9-11(10)14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6/h9-11H2,1-8H3;11H,7-10H2,1-6H3;11-12H,8-10H2,1-7H3;10H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3/t;;11-,12?;;2*10?,11-;;;;;/m..1.10...../s1
• InChIKey: ABIIBBJFBKALQI-MEOPGXPFSA-N
• XLogP: 36.43
• TPSA: 42.12 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.98
LogP ≤ 5	36.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?

The IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (CID 157061027) is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.

What is the SMILES notation for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?

The canonical SMILES for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CC(C(C)(C)C)C1.CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1(F)F.CC(C)(C)C1CCN(C(C)(C)C)C[C@@H]1F.CC(C)(C)C1CCN(C(C)(C)C)C[C@H]1F.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.C[C@@H]1CC(C(C)(C)C)CCN1C(C)(C)C.

What is the InChIKey of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?

The InChIKey is ABIIBBJFBKALQI-MEOPGXPFSA-N. The full InChI is InChI=1S/C14H30N2.C14H27N.C14H29N.C13H25F2N.2C13H26FN.C13H26N2.C13H27N.C12H26N2.C12H25N.C12H24/c1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6;1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;1-11(2,3)10-7-8-16(12(4,5)6)9-13(10,14)15;2*1-12(2,3)10-7-8-15(9-11(10)14)13(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)9-7-10(8-9)12(4,5)6/h9-11H2,1-8H3;11H,7-10H2,1-6H3;11-12H,8-10H2,1-7H3;10H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3;7-10H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3/t;;11-,12?;;2*10?,11-;;;;;/m..1.10...../s1.

What are the key properties of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?

2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine has a molecular weight of 2268.98 g/mol, XLogP of 36.43, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;1,3-ditert-butylcyclobutane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-3,3-difluoropiperidine;1,4-ditert-butyl-2,2-dimethylpiperazine;(3S)-1,4-ditert-butyl-3-fluoropiperidine;(3R)-1,4-ditert-butyl-3-fluoropiperidine;(2R)-1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 157061027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).