1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine

C107H209N9O9S2 — CID 159536036

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine
SMILESCC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.CC(C)(C)NC1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)SCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)NCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2S.C16H31NO.2C15H29NO2.C15H29NOS.C14H28N2O.C14H29N/c1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;3*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-11(2)15-10-13(17)16-8-6-12(7-9-16)14(3,4)5;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;3*12H,7-11H2,1-6H3;11-12,15H,6-10H2,1-5H3;11-12,15H,7-10H2,1-6H3
InChIKeyMDPGTAXLDGPGGR-UHFFFAOYSA-N
MW1830.04 g/mol
LogP23.28
Rot. Bonds18

About 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine

1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine (PubChem CID 159536036) has the molecular formula C107H209N9O9S2 and a molecular weight of 1830.04 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine
PubChem CID159536036
Molecular FormulaC107H209N9O9S2
Molecular Weight1830.04 g/mol
Exact Mass1828.56
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine
SMILESCC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.CC(C)(C)NC1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)SCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)NCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2S.C16H31NO.2C15H29NO2.C15H29NOS.C14H28N2O.C14H29N/c1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;3*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-11(2)15-10-13(17)16-8-6-12(7-9-16)14(3,4)5;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;3*12H,7-11H2,1-6H3;11-12,15H,6-10H2,1-5H3;11-12,15H,7-10H2,1-6H3
InChIKeyMDPGTAXLDGPGGR-UHFFFAOYSA-N
XLogP23.28
TPSA193.48 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.04
LogP ≤ 523.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine (CID 159536036) is 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine is CC(C)(C)CC(=O)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CCNC(=O)C1CCN(C(=O)CSC(C)(C)C)CC1.CC(C)(C)NC1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)OCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)SCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)NCC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine?
The InChIKey is MDPGTAXLDGPGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2S.C16H31NO.2C15H29NO2.C15H29NOS.C14H28N2O.C14H29N/c1-17(2,3)9-10-19-16(22)14-7-11-20(12-8-14)15(21)13-23-18(4,5)6;1-15(2,3)11-14(18)12-17-9-7-13(8-10-17)16(4,5)6;3*1-14(2,3)12-7-9-16(10-8-12)13(17)11-18-15(4,5)6;1-11(2)15-10-13(17)16-8-6-12(7-9-16)14(3,4)5;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6/h14H,7-13H2,1-6H3,(H,19,22);13H,7-12H2,1-6H3;3*12H,7-11H2,1-6H3;11-12,15H,6-10H2,1-5H3;11-12,15H,7-10H2,1-6H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine?
1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine has a molecular weight of 1830.04 g/mol, XLogP of 23.28, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-tert-butylsulfanylethanone;1-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-one;bis(1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone);1-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone;1-(2-tert-butylsulfanylacetyl)-N-(3,3-dimethylbutyl)piperidine-4-carboxamide;N,4-ditert-butylcyclohexan-1-amine is sourced from PubChem (CID 159536036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).