tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine

C124H261N7O12S2 — CID 160825917

About tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine

tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine (PubChem CID 160825917) has the molecular formula C124H261N7O12S2 and a molecular weight of 2106.62 g/mol. Its IUPAC name is tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine.

Molecular Properties

• Compound Name: tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine
• PubChem CID: 160825917
• Molecular Formula: C124H261N7O12S2
• Molecular Weight: 2106.62 g/mol
• Exact Mass: 2104.95
• IUPAC Name: tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine
• SMILES: CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCOCC1.CC(C)(C)CCCNS(C)(=O)=O.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)CCC1CCN(C)CC1.CCC(C)(C)C.CCCC(C)(C)C.CCS(=O)(=O)C(C)(C)C.CN1CCCCC1CC(C)(C)C.COCCC(C)(C)C
• InChI: InChI=1S/C16H31NO2.3C11H23N.C11H22O.C10H19NO2.C10H21NO.C10H20O.C8H19NO2S.C7H16O.C7H16.C6H14O2S.C6H14/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-11(2,3)9-10-7-5-6-8-12(10)4;1-10(2)4-5-11-6-8-12(3)9-7-11;1-11(2,3)7-10-12-8-5-4-6-9-12;1-11(2,3)7-4-10-5-8-12-9-6-10;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)6-5-7-9-12(4,10)11;1-7(2,3)5-6-8-4;1-5-6-7(2,3)4;1-5-9(7,8)6(2,3)4;1-5-6(2,3)4/h13H,7-12H2,1-6H3;10H,5-9H2,1-4H3;10-11H,4-9H2,1-3H3;4-10H2,1-3H3;10H,4-9H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;9H,5-7H2,1-4H3;5-6H2,1-4H3;5-6H2,1-4H3;5H2,1-4H3;5H2,1-4H3
• InChIKey: SGDWFASNHKOPGH-UHFFFAOYSA-N
• XLogP: 32.09
• TPSA: 189.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.62
LogP ≤ 5	32.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine?

The IUPAC name of tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine (CID 160825917) is tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine.

What is the SMILES notation for tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine?

The canonical SMILES for tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine is CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CCC1CCOCC1.CC(C)(C)CCCNS(C)(=O)=O.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)CCC1CCN(C)CC1.CCC(C)(C)C.CCCC(C)(C)C.CCS(=O)(=O)C(C)(C)C.CN1CCCCC1CC(C)(C)C.COCCC(C)(C)C.

What is the InChIKey of tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine?

The InChIKey is SGDWFASNHKOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2.3C11H23N.C11H22O.C10H19NO2.C10H21NO.C10H20O.C8H19NO2S.C7H16O.C7H16.C6H14O2S.C6H14/c1-15(2,3)10-7-13-8-11-17(12-9-13)14(18)19-16(4,5)6;1-11(2,3)9-10-7-5-6-8-12(10)4;1-10(2)4-5-11-6-8-12(3)9-7-11;1-11(2,3)7-10-12-8-5-4-6-9-12;1-11(2,3)7-4-10-5-8-12-9-6-10;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)6-5-7-9-12(4,10)11;1-7(2,3)5-6-8-4;1-5-6-7(2,3)4;1-5-9(7,8)6(2,3)4;1-5-6(2,3)4/h13H,7-12H2,1-6H3;10H,5-9H2,1-4H3;10-11H,4-9H2,1-3H3;4-10H2,1-3H3;10H,4-9H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;9H,4-8H2,1-3H3;9H,5-7H2,1-4H3;5-6H2,1-4H3;5-6H2,1-4H3;5H2,1-4H3;5H2,1-4H3.

What are the key properties of tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine?

tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine has a molecular weight of 2106.62 g/mol, XLogP of 32.09, 22 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;2,2-dimethylbutane;4-(3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)oxane;1-(3,3-dimethylbutyl)piperidine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;2,2-dimethylpentane;N-(4,4-dimethylpentyl)methanesulfonamide;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-ethylsulfonyl-2-methylpropane;1-methoxy-3,3-dimethylbutane;1-methyl-4-(3-methylbutyl)piperidine is sourced from PubChem (CID 160825917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).