1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine

C178H374N18 — CID 167623282

IUPAC1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2.C18H38N2.C18H37N.C17H36N2.C17H35N.C16H34N2.C16H33N.C15H32N2.C15H31N.C14H30N2.C13H28N2/c1-18(2,3)12-10-8-7-9-11-13-20-14-16-21(17-15-20)19(4,5)6;1-17(2,3)11-9-7-8-10-12-19-13-15-20(16-14-19)18(4,5)6;1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)10-8-7-9-11-18-12-14-19(15-13-18)17(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6/h7-17H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15H,7-14H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyMSWSHIWBRMVZHR-UHFFFAOYSA-N
MW2767.08 g/mol
LogP44.40
Rot. Bonds50

About 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine (PubChem CID 167623282) has the molecular formula C178H374N18 and a molecular weight of 2767.08 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine
PubChem CID167623282
Molecular FormulaC178H374N18
Molecular Weight2767.08 g/mol
Exact Mass2764.98
IUPAC Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine
SMILESCC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2.C18H38N2.C18H37N.C17H36N2.C17H35N.C16H34N2.C16H33N.C15H32N2.C15H31N.C14H30N2.C13H28N2/c1-18(2,3)12-10-8-7-9-11-13-20-14-16-21(17-15-20)19(4,5)6;1-17(2,3)11-9-7-8-10-12-19-13-15-20(16-14-19)18(4,5)6;1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)10-8-7-9-11-18-12-14-19(15-13-18)17(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6/h7-17H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15H,7-14H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3
InChIKeyMSWSHIWBRMVZHR-UHFFFAOYSA-N
XLogP44.40
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds50
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002767.08
LogP ≤ 544.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine (CID 167623282) is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine is CC(C)(C)CCCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1CC(C(C)(C)C)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine?
The InChIKey is MSWSHIWBRMVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2.C18H38N2.C18H37N.C17H36N2.C17H35N.C16H34N2.C16H33N.C15H32N2.C15H31N.C14H30N2.C13H28N2/c1-18(2,3)12-10-8-7-9-11-13-20-14-16-21(17-15-20)19(4,5)6;1-17(2,3)11-9-7-8-10-12-19-13-15-20(16-14-19)18(4,5)6;1-17(2,3)12-10-8-7-9-11-13-19-14-16(15-19)18(4,5)6;1-16(2,3)10-8-7-9-11-18-12-14-19(15-13-18)17(4,5)6;1-16(2,3)11-9-7-8-10-12-18-13-15(14-18)17(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-8-7-9-11-17-12-14(13-17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)9-7-8-10-16-11-13(12-16)15(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-14-7-9-15(10-8-14)13(4,5)6/h7-17H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;7-15H2,1-6H3;15H,7-14H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3;7-12H2,1-6H3;7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine?
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine has a molecular weight of 2767.08 g/mol, XLogP of 44.40, 50 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;3-tert-butyl-1-(6,6-dimethylheptyl)azetidine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;3-tert-butyl-1-(8,8-dimethylnonyl)azetidine;1-tert-butyl-4-(8,8-dimethylnonyl)piperazine;3-tert-butyl-1-(7,7-dimethyloctyl)azetidine;1-tert-butyl-4-(7,7-dimethyloctyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine is sourced from PubChem (CID 167623282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).