1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

C113H208N12O6S4 — CID 158328345

About 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 158328345) has the molecular formula C113H208N12O6S4 and a molecular weight of 1959.25 g/mol. Its IUPAC name is 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• PubChem CID: 158328345
• Molecular Formula: C113H208N12O6S4
• Molecular Weight: 1959.25 g/mol
• Exact Mass: 1957.52
• IUPAC Name: 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• SMILES: CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)OC1CCCCC1.CC(C)(C)OC1CCN(S(C)(=O)=O)CC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2cccc2)n1.CC(C)c1cscn1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCN(CC)c1nc(C(C)C)cs1
• InChI: InChI=1S/C14H29N.C13H27N.C11H23NO.C11H17N.C10H12N2S.C10H18N2S.C10H21NO3S.C10H20O.C9H13NO.C9H19N.C6H9NS/c1-5-10-15-11-7-13(8-12-15)6-9-14(2,3)4;1-4-9-14-10-7-13(8-11-14)6-5-12(2)3;1-4-7-12-8-5-11(6-9-12)13-10(2)3;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)11-9-7-5-4-6-8-9;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-7-5-4-6-8-10;1-5(2)6-3-8-4-7-6/h13H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;10-11H,4-9H2,1-3H3;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;3-5H,1-2H3
• InChIKey: GPRQDAUITYBPHI-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 159.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1959.25
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 158328345) is 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)OC1CCCCC1.CC(C)(C)OC1CCN(S(C)(=O)=O)CC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2cccc2)n1.CC(C)c1cscn1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCN(CC)c1nc(C(C)C)cs1.

What is the InChIKey of 1-tert-butylpiperidine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The InChIKey is GPRQDAUITYBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C13H27N.C11H23NO.C11H17N.C10H12N2S.C10H18N2S.C10H21NO3S.C10H20O.C9H13NO.C9H19N.C6H9NS/c1-5-10-15-11-7-13(8-12-15)6-9-14(2,3)4;1-4-9-14-10-7-13(8-11-14)6-5-12(2)3;1-4-7-12-8-5-11(6-9-12)13-10(2)3;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)11-9-7-5-4-6-8-9;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)10-7-5-4-6-8-10;1-5(2)6-3-8-4-7-6/h13H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;10-11H,4-9H2,1-3H3;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;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 1959.25 g/mol, XLogP of 30.15, 26 rotatable bonds, 0 hydrogen bond donors, and 20 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;4-(3,3-dimethylbutyl)-1-propylpiperidine;2-(3,3-dimethylbutyl)pyridine;4-(3-methylbutyl)-1-propylpiperidine;(2-methylpropan-2-yl)oxycyclohexane;4-[(2-methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158328345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).