(2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)

C239H501N33 — CID 165010642

About (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)

(2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine) (PubChem CID 165010642) has the molecular formula C239H501N33 and a molecular weight of 3837.87 g/mol. Its IUPAC name is (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine).

Molecular Properties

• Compound Name: (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)
• PubChem CID: 165010642
• Molecular Formula: C239H501N33
• Molecular Weight: 3837.87 g/mol
• Exact Mass: 3835.02
• IUPAC Name: (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)
• SMILES: CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)(C)C)C[C@H]1C.CC1CN(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CN(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C
• InChI: InChI=1S/3C14H28N2.3C14H30N2.2C13H26N2.6C13H28N2.3C13H27N.C12H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;2*1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;5*1-11-10-14(12(2,3)4)8-9-15(11)13(5,6)7;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;3*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-10(2)14-8-7-13(9-11(14)3)12(4,5)6/h3*11-12H,7-10H2,1-6H3;11-12H,9-10H2,1-8H3;2*9-11H2,1-8H3;2*10-11H,7-9H2,1-6H3;5*11H,8-10H2,1-7H3;7-11H2,1-6H3;3*11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3/t;;;;;;;;3*11-;;;;;;;11-/m........100......1/s1
• InChIKey: JQNFAJMEOKDQFQ-HGMOJFDRSA-N
• XLogP: 50.18
• TPSA: 106.92 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 1
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3837.87
LogP ≤ 5	50.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)?

The IUPAC name of (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine) (CID 165010642) is (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine).

What is the SMILES notation for (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)?

The canonical SMILES for (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine) is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)N1CCN(C(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)(C)C)C[C@H]1C.CC1CN(C(C)(C)C)CC(C)N1C(C)(C)C.CC1CN(C(C)(C)C)CCN1C(C)(C)C.CC1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C.

What is the InChIKey of (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)?

The InChIKey is JQNFAJMEOKDQFQ-HGMOJFDRSA-N. The full InChI is InChI=1S/3C14H28N2.3C14H30N2.2C13H26N2.6C13H28N2.3C13H27N.C12H26N2/c1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;2*1-12(2,3)15-9-10-16(13(4,5)6)14(7,8)11-15;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;5*1-11-10-14(12(2,3)4)8-9-15(11)13(5,6)7;1-12(2,3)14-8-7-9-15(11-10-14)13(4,5)6;3*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-10(2)14-8-7-13(9-11(14)3)12(4,5)6/h3*11-12H,7-10H2,1-6H3;11-12H,9-10H2,1-8H3;2*9-11H2,1-8H3;2*10-11H,7-9H2,1-6H3;5*11H,8-10H2,1-7H3;7-11H2,1-6H3;3*11H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3/t;;;;;;;;3*11-;;;;;;;11-/m........100......1/s1.

What are the key properties of (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine)?

(2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine) has a molecular weight of 3837.87 g/mol, XLogP of 50.18, 1 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;bis(2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);1,4-ditert-butyl-1,4-diazepane;bis(1,4-ditert-butyl-2,2-dimethylpiperazine);1,4-ditert-butyl-2,6-dimethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);(2R)-1,4-ditert-butyl-2-methylpiperazine;tris(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 165010642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).