1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C120H255N15O4 — CID 160763984

IUPAC1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2.C13H27N/c1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyRYLBYRZUYOSXIJ-UHFFFAOYSA-N
MW1972.46 g/mol
LogP23.58
Rot. Bonds27

About 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 160763984) has the molecular formula C120H255N15O4 and a molecular weight of 1972.46 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID160763984
Molecular FormulaC120H255N15O4
Molecular Weight1972.46 g/mol
Exact Mass1971.02
IUPAC Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2.C13H27N/c1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyRYLBYRZUYOSXIJ-UHFFFAOYSA-N
XLogP23.58
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.46
LogP ≤ 523.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 160763984) is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CNCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is RYLBYRZUYOSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2.C13H27N/c1-16(2,3)15-18-7-8-19-9-11-20(12-10-19)13-14-21-17(4,5)6;1-16(2,3)15-20-13-11-18-7-9-19(10-8-18)12-14-21-17(4,5)6;1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 1972.46 g/mol, XLogP of 23.58, 27 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 160763984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).