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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole

C112H206N14O5S3 — CID 159338991

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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole (PubChem CID 159338991) has the molecular formula C112H206N14O5S3 and a molecular weight of 1925.17 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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole
• PubChem CID: 159338991
• Molecular Formula: C112H206N14O5S3
• Molecular Weight: 1925.17 g/mol
• Exact Mass: 1923.55
• 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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole
• SMILES: CC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1cscn1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCCN1CCC(OC)CC1.CCN(CC)c1nc(C(C)C)cs1
• InChI: InChI=1S/C14H29N.C13H27N.C11H21NO2.C11H23NO.C11H17N.C10H18N2S.C9H11N3S.C9H13NO.C9H19NO.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;1-9(13)12-7-5-10(6-8-12)14-11(2,3)4;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;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2,3)11-8-6-4-5-7-10-8;1-3-6-10-7-4-9(11-2)5-8-10;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;10H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;7-8H,5-6H2,1-4H3;3-7H,1-2H3;4-7H,1-3H3;9H,3-8H2,1-2H3;4-8H2,1-3H3;3-5H,1-2H3
• InChIKey: LFXBDEGUCVGBGC-UHFFFAOYSA-N
• XLogP: 28.51
• TPSA: 158.94 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.17
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole (CID 159338991) 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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole is CC(=O)N1CCC(OC(C)(C)C)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)N1CCCCC1.CC(C)(C)Oc1ccccn1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1cscn1.CCCN1CCC(CCC(C)(C)C)CC1.CCCN1CCC(CCC(C)C)CC1.CCCN1CCC(OC(C)C)CC1.CCCN1CCC(OC)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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole?

The InChIKey is LFXBDEGUCVGBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C13H27N.C11H21NO2.C11H23NO.C11H17N.C10H18N2S.C9H11N3S.C9H13NO.C9H19NO.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;1-9(13)12-7-5-10(6-8-12)14-11(2,3)4;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;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2,3)11-8-6-4-5-7-10-8;1-3-6-10-7-4-9(11-2)5-8-10;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;10H,5-8H2,1-4H3;10-11H,4-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;7-8H,5-6H2,1-4H3;3-7H,1-2H3;4-7H,1-3H3;9H,3-8H2,1-2H3;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole has a molecular weight of 1925.17 g/mol, XLogP of 28.51, 27 rotatable bonds, 0 hydrogen bond donors, and 21 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;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;4-methoxy-1-propylpiperidine;4-(3-methylbutyl)-1-propylpiperidine;1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]pyridine;4-propan-2-yloxy-1-propylpiperidine;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159338991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).