bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)

C203H437F7N24 — CID 167581014

About bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)

bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) (PubChem CID 167581014) has the molecular formula C203H437F7N24 and a molecular weight of 3347.88 g/mol. Its IUPAC name is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine).

Molecular Properties

• Compound Name: bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
• PubChem CID: 167581014
• Molecular Formula: C203H437F7N24
• Molecular Weight: 3347.88 g/mol
• Exact Mass: 3345.48
• IUPAC Name: bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
• SMILES: CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CF.CF.CF
• InChI: InChI=1S/4C11H24N2.8C11H23N.2C10H19F2N.2C10H22N2.2C10H21N.4C2H6.3CH3F/c2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;4*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;7*1-2/h4*9-11H,6-8H2,1-5H3;8*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;2*9-10H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;4*1-2H3;3*1H3
• InChIKey: HEIBAYBGBSFLRL-UHFFFAOYSA-N
• XLogP: 48.02
• TPSA: 77.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3347.88
LogP ≤ 5	48.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) (CID 167581014) is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine).

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

The canonical SMILES for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) is CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CF.CF.CF.

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

The InChIKey is HEIBAYBGBSFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H24N2.8C11H23N.2C10H19F2N.2C10H22N2.2C10H21N.4C2H6.3CH3F/c2*1-9(2)11-8-13(10(3)4)7-6-12(11)5;2*1-9(2)11-8-12(5)6-7-13(11)10(3)4;4*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;7*1-2/h4*9-11H,6-8H2,1-5H3;8*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;2*9-10H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;4*1-2H3;3*1H3.

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

bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) has a molecular weight of 3347.88 g/mol, XLogP of 48.02, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine) is sourced from PubChem (CID 167581014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).