4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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

C92H194N10O4 — CID 158025844

IUPAC4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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)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)OCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.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;1-12(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;11H,7-10H2,1-6H3
InChIKeyFGPCUGNCHXDOPB-UHFFFAOYSA-N
MW1504.63 g/mol
LogP18.95
Rot. Bonds22

About 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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

4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 158025844) has the molecular formula C92H194N10O4 and a molecular weight of 1504.63 g/mol. Its IUPAC name is 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 Name4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 CID158025844
Molecular FormulaC92H194N10O4
Molecular Weight1504.63 g/mol
Exact Mass1503.53
IUPAC Name4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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)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)OCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.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;1-12(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;11H,7-10H2,1-6H3
InChIKeyFGPCUGNCHXDOPB-UHFFFAOYSA-N
XLogP18.95
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.63
LogP ≤ 518.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 158025844) is 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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)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)OCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 FGPCUGNCHXDOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O.C17H36N2O2.C15H32N2.C15H31NO.C15H31N.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;1-12(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;11H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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?
4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 1504.63 g/mol, XLogP of 18.95, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;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 158025844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).