3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine

C257H548N38 — CID 157197105

About 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine

3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine (PubChem CID 157197105) has the molecular formula C257H548N38 and a molecular weight of 4171.48 g/mol. Its IUPAC name is 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine.

Molecular Properties

• Compound Name: 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine
• PubChem CID: 157197105
• Molecular Formula: C257H548N38
• Molecular Weight: 4171.48 g/mol
• Exact Mass: 4168.40
• IUPAC Name: 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine
• SMILES: CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C(C)CN1C(C)(C)C.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.CC[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C.CC[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)C[C@@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@@H](C)CN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@@H](C)CN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@H](C)CN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C
• InChI: InChI=1S/11C14H30N2.2C13H26N2.5C13H28N2.C12H26N2/c4*1-11-9-16(14(6,7)8)12(2)10-15(11)13(3,4)5;5*1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;2*1-8-12-11-15(13(2,3)4)9-10-16(12)14(5,6)7;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6;4*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;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h9*11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;4*11H,8-10H2,1-7H3;7-11H2,1-6H3;7-10H2,1-6H3/t2*11-,12+;11-,12-;;2*11-,12+;2*11-,12-;;2*12-;;;2*11-;;;;/m..1...10.10..10..../s1
• InChIKey: AQJJUJIYOFZLPO-HODDXPTASA-N
• XLogP: 52.45
• TPSA: 123.12 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 2
• Heavy Atoms: 295
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4171.48
LogP ≤ 5	52.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine?

The IUPAC name of 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine (CID 157197105) is 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine.

What is the SMILES notation for 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine?

The canonical SMILES for 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine is CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C(C)CN1C(C)(C)C.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.CC[C@@H]1CN(C(C)(C)C)CCN1C(C)(C)C.CC[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)C[C@@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@@H](C)CN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@@H](C)CN1C(C)(C)C.C[C@@H]1CN(C(C)(C)C)[C@H](C)CN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)CCN1C(C)(C)C.C[C@H]1CN(C(C)(C)C)C[C@H](C)N1C(C)(C)C.

What is the InChIKey of 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine?

The InChIKey is AQJJUJIYOFZLPO-HODDXPTASA-N. The full InChI is InChI=1S/11C14H30N2.2C13H26N2.5C13H28N2.C12H26N2/c4*1-11-9-16(14(6,7)8)12(2)10-15(11)13(3,4)5;5*1-11-9-15(13(3,4)5)10-12(2)16(11)14(6,7)8;2*1-8-12-11-15(13(2,3)4)9-10-16(12)14(5,6)7;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6;1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6;4*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;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h9*11-12H,9-10H2,1-8H3;2*12H,8-11H2,1-7H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;4*11H,8-10H2,1-7H3;7-11H2,1-6H3;7-10H2,1-6H3/t2*11-,12+;11-,12-;;2*11-,12+;2*11-,12-;;2*12-;;;2*11-;;;;/m..1...10.10..10..../s1.

What are the key properties of 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine?

3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine has a molecular weight of 4171.48 g/mol, XLogP of 52.45, 2 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butyl-2,5-dimethylpiperazine;1,4-ditert-butyl-2,6-dimethylpiperazine;bis((2R,5S)-1,4-ditert-butyl-2,5-dimethylpiperazine);(2R,5R)-1,4-ditert-butyl-2,5-dimethylpiperazine;bis((2R,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine);(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2R,6R)-1,4-ditert-butyl-2,6-dimethylpiperazine;(2S)-1,4-ditert-butyl-2-ethylpiperazine;(2R)-1,4-ditert-butyl-2-ethylpiperazine;bis(1,4-ditert-butyl-2-methylpiperazine);(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butylpiperazine is sourced from PubChem (CID 157197105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).