bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine

C81H160F11N7 — CID 165014394

About bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine

bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 165014394) has the molecular formula C81H160F11N7 and a molecular weight of 1441.20 g/mol. Its IUPAC name is bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

• Compound Name: bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
• PubChem CID: 165014394
• Molecular Formula: C81H160F11N7
• Molecular Weight: 1441.20 g/mol
• Exact Mass: 1440.26
• IUPAC Name: bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
• SMILES: CC.CC(C)C1CCN(C(C)C)C(C(F)(F)F)C1.CC(C)C1CCN(C(C)C)C(C)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F
• InChI: InChI=1S/C12H22F3N.C12H25N.4C11H21F2N.C11H23N.C2H6/c1-8(2)10-5-6-16(9(3)4)11(7-10)12(13,14)15;1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h8-11H,5-7H2,1-4H3;9-12H,6-8H2,1-5H3;4*8-10H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;1-2H3
• InChIKey: KEQZQUYUIHBBDQ-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1441.20
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine?

The IUPAC name of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine (CID 165014394) is bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine.

What is the SMILES notation for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine?

The canonical SMILES for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine is CC.CC(C)C1CCN(C(C)C)C(C(F)(F)F)C1.CC(C)C1CCN(C(C)C)C(C)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)C(F)(F)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN(C(C)C)CC1(F)F.

What is the InChIKey of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine?

The InChIKey is KEQZQUYUIHBBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N.C12H25N.4C11H21F2N.C11H23N.C2H6/c1-8(2)10-5-6-16(9(3)4)11(7-10)12(13,14)15;1-9(2)12-6-7-13(10(3)4)11(5)8-12;2*1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;2*1-8(2)10-5-6-14(9(3)4)11(12,13)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-2/h8-11H,5-7H2,1-4H3;9-12H,6-8H2,1-5H3;4*8-10H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;1-2H3.

What are the key properties of bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine?

bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 1441.20 g/mol, XLogP of 23.36, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 165014394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).