1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine

C107H220N6O2 — CID 167580000

IUPAC1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CCCCCCCN1CC=C(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CCC(O)(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CC(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CCC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCOCCC(C)(C)C
InChIInChI=1S/C20H41NO.C20H41N.C20H39N.C19H39N.C16H34N2.C12H26O/c1-18(2,3)12-10-8-7-9-11-15-21-16-13-20(22,14-17-21)19(4,5)6;1-19(2,3)13-8-7-9-15-21-16-11-18(12-17-21)10-14-20(4,5)6;1-19(2,3)14-10-8-7-9-11-15-21-16-12-18(13-17-21)20(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-17(11-15-20)16-19(4,5)6;1-15(2,3)7-9-17-11-13-18(14-12-17)10-8-16(4,5)6;1-11(2,3)7-9-13-10-8-12(4,5)6/h22H,7-17H2,1-6H3;18H,7-17H2,1-6H3;12H,7-11,13-17H2,1-6H3;17H,7-16H2,1-6H3;7-14H2,1-6H3;7-10H2,1-6H3
InChIKeyHBDKMMDXZOQWOA-UHFFFAOYSA-N
MW1622.98 g/mol
LogP30.52
Rot. Bonds35

About 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine

1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine (PubChem CID 167580000) has the molecular formula C107H220N6O2 and a molecular weight of 1622.98 g/mol. Its IUPAC name is 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine.

Molecular Properties

Compound Name1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine
PubChem CID167580000
Molecular FormulaC107H220N6O2
Molecular Weight1622.98 g/mol
Exact Mass1621.73
IUPAC Name1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine
SMILESCC(C)(C)CCCCCCCN1CC=C(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CCC(O)(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CC(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CCC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCOCCC(C)(C)C
InChIInChI=1S/C20H41NO.C20H41N.C20H39N.C19H39N.C16H34N2.C12H26O/c1-18(2,3)12-10-8-7-9-11-15-21-16-13-20(22,14-17-21)19(4,5)6;1-19(2,3)13-8-7-9-15-21-16-11-18(12-17-21)10-14-20(4,5)6;1-19(2,3)14-10-8-7-9-11-15-21-16-12-18(13-17-21)20(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-17(11-15-20)16-19(4,5)6;1-15(2,3)7-9-17-11-13-18(14-12-17)10-8-16(4,5)6;1-11(2,3)7-9-13-10-8-12(4,5)6/h22H,7-17H2,1-6H3;18H,7-17H2,1-6H3;12H,7-11,13-17H2,1-6H3;17H,7-16H2,1-6H3;7-14H2,1-6H3;7-10H2,1-6H3
InChIKeyHBDKMMDXZOQWOA-UHFFFAOYSA-N
XLogP30.52
TPSA48.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.98
LogP ≤ 530.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine?
The IUPAC name of 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine (CID 167580000) is 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine.
What is the SMILES notation for 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine?
The canonical SMILES for 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine is CC(C)(C)CCCCCCCN1CC=C(C(C)(C)C)CC1.CC(C)(C)CCCCCCCN1CCC(O)(C(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CC(C)(C)C)CC1.CC(C)(C)CCCCCN1CCC(CCC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCC(C)(C)C)CC1.CC(C)(C)CCOCCC(C)(C)C.
What is the InChIKey of 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine?
The InChIKey is HBDKMMDXZOQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.C20H41N.C20H39N.C19H39N.C16H34N2.C12H26O/c1-18(2,3)12-10-8-7-9-11-15-21-16-13-20(22,14-17-21)19(4,5)6;1-19(2,3)13-8-7-9-15-21-16-11-18(12-17-21)10-14-20(4,5)6;1-19(2,3)14-10-8-7-9-11-15-21-16-12-18(13-17-21)20(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-17(11-15-20)16-19(4,5)6;1-15(2,3)7-9-17-11-13-18(14-12-17)10-8-16(4,5)6;1-11(2,3)7-9-13-10-8-12(4,5)6/h22H,7-17H2,1-6H3;18H,7-17H2,1-6H3;12H,7-11,13-17H2,1-6H3;17H,7-16H2,1-6H3;7-14H2,1-6H3;7-10H2,1-6H3.
What are the key properties of 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine?
1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine has a molecular weight of 1622.98 g/mol, XLogP of 30.52, 35 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(8,8-dimethylnonyl)-3,6-dihydro-2H-pyridine;4-tert-butyl-1-(8,8-dimethylnonyl)piperidin-4-ol;1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4-(3,3-dimethylbutyl)-1-(6,6-dimethylheptyl)piperidine;1-(6,6-dimethylheptyl)-4-(2,2-dimethylpropyl)piperidine is sourced from PubChem (CID 167580000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).