1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

C119H220N12O11S4 — CID 159228024

About 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 159228024) has the molecular formula C119H220N12O11S4 and a molecular weight of 2123.41 g/mol. Its IUPAC name is 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• PubChem CID: 159228024
• Molecular Formula: C119H220N12O11S4
• Molecular Weight: 2123.41 g/mol
• Exact Mass: 2121.59
• IUPAC Name: 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• SMILES: CC(C)(C)CCC1CCN(CCO)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)OC1CCN(S(C)(=O)=O)CC1.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC1CCOCC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2cccc2)n1.CC(C)c1cscn1.CCN(CC)c1nc(C(C)C)cs1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1
• InChI: InChI=1S/C13H27NO.2C11H23NO.C11H17N.C10H12N2S.C10H18N2S.C10H21NO3S.C10H20O2.C9H13NO.C9H19N.C9H18O2.C6H9NS/c1-13(2,3)7-4-12-5-8-14(9-6-12)10-11-15;2*1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-7-13-10(11-9)12-5-3-4-6-12;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-10(2,3)14-9-5-7-11(8-6-9)15(4,12)13;1-10(2,3)12-8-9-4-6-11-7-5-9;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)11-8-4-6-10-7-5-8;1-5(2)6-3-8-4-7-6/h12,15H,4-11H2,1-3H3;2*10H,5-9H2,1-4H3;4-6,9H,7-8H2,1-3H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;3-5H,1-2H3
• InChIKey: KSNQNOZALXHXHV-UHFFFAOYSA-N
• XLogP: 28.26
• TPSA: 217.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.41
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The IUPAC name of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 159228024) is 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is CC(C)(C)CCC1CCN(CCO)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)OC1CCN(S(C)(=O)=O)CC1.CC(C)(C)OC1CCOCC1.CC(C)(C)OCC1CCOCC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2cccc2)n1.CC(C)c1cscn1.CCN(CC)c1nc(C(C)C)cs1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1.

What is the InChIKey of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The InChIKey is KSNQNOZALXHXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.2C11H23NO.C11H17N.C10H12N2S.C10H18N2S.C10H21NO3S.C10H20O2.C9H13NO.C9H19N.C9H18O2.C6H9NS/c1-13(2,3)7-4-12-5-8-14(9-6-12)10-11-15;2*1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-8(2)9-7-13-10(11-9)12-5-3-4-6-12;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-10(2,3)14-9-5-7-11(8-6-9)15(4,12)13;1-10(2,3)12-8-9-4-6-11-7-5-9;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)11-8-4-6-10-7-5-8;1-5(2)6-3-8-4-7-6/h12,15H,4-11H2,1-3H3;2*10H,5-9H2,1-4H3;4-6,9H,7-8H2,1-3H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;3-5H,1-2H3.

What are the key properties of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 2123.41 g/mol, XLogP of 28.26, 23 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2-[4-(3,3-dimethylbutyl)piperidin-1-yl]ethanol;2-(3,3-dimethylbutyl)pyridine;bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[(2-methylpropan-2-yl)oxymethyl]oxane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;4-[(2-methylpropan-2-yl)oxy]oxane;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159228024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).