4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

C176H297F4N27O5 — CID 159480374

About 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine

4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (PubChem CID 159480374) has the molecular formula C176H297F4N27O5 and a molecular weight of 2947.49 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

Molecular Properties

• Compound Name: 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
• PubChem CID: 159480374
• Molecular Formula: C176H297F4N27O5
• Molecular Weight: 2947.49 g/mol
• Exact Mass: 2945.38
• IUPAC Name: 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine
• SMILES: CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2ccnc2)CC1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1cccn1CC1(CC(C)(C)C)CC1
• InChI: InChI=1S/2C14H24N2.C14H23N.C14H27N.C13H25N.C12H23F2N.C12H16N4.C12H20N2.C12H21NO3.C11H18F2N2.C11H15N3.C10H15NO.C9H14N2O.2C9H16N2/c1-11-8-12(2)16(15-11)10-14(6-7-14)9-13(3,4)5;1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-12-6-5-9-15(12)11-14(7-8-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-11(2,3)8-12(4-5-12)9-14-7-6-13-10-14;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8;2*1-9(2,3)5-8-11-7-4-6-10-11/h8H,6-7,9-10H2,1-5H3;8-9H,5-7,10-11H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4-11H2,1-3H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;9H,5-8H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;2*4,6-7H,5,8H2,1-3H3
• InChIKey: LWXRLDSONRSMJF-UHFFFAOYSA-N
• XLogP: 44.08
• TPSA: 299.62 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2947.49
LogP ≤ 5	44.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The IUPAC name of 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine (CID 159480374) is 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine.

What is the SMILES notation for 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The canonical SMILES for 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is CC(C)(C)CC1(CN2CCCC2)CC1.CC(C)(C)CC1(CN2CCCCC2)CC1.CC(C)(C)CC1(Cn2ccnc2)CC1.CC(C)(C)CCn1ccc(C(C)(F)F)n1.CC(C)(C)CCn1cccn1.CC(C)(C)CCn1cccn1.CC(C)(C)Cn1nc2ccccc2n1.CC(C)(C)Cn1nnnc1-c1ccccc1.CC(C)(C)OCc1cccnc1.CC(C)(C)OCc1ncccn1.CC(F)(F)CN1CCC(C(C)(C)C)CC1.CCOC(=O)N1CCC(=O)C(C(C)(C)C)C1.CCc1nccn1CC1(CC(C)(C)C)CC1.Cc1cc(C)n(CC2(CC(C)(C)C)CC2)n1.Cc1cccn1CC1(CC(C)(C)C)CC1.

What is the InChIKey of 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

The InChIKey is LWXRLDSONRSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2.C14H23N.C14H27N.C13H25N.C12H23F2N.C12H16N4.C12H20N2.C12H21NO3.C11H18F2N2.C11H15N3.C10H15NO.C9H14N2O.2C9H16N2/c1-11-8-12(2)16(15-11)10-14(6-7-14)9-13(3,4)5;1-5-12-15-8-9-16(12)11-14(6-7-14)10-13(2,3)4;1-12-6-5-9-15(12)11-14(7-8-14)10-13(2,3)4;1-13(2,3)11-14(7-8-14)12-15-9-5-4-6-10-15;1-12(2,3)10-13(6-7-13)11-14-8-4-5-9-14;1-11(2,3)10-5-7-15(8-6-10)9-12(4,13)14;1-12(2,3)9-16-11(13-14-15-16)10-7-5-4-6-8-10;1-11(2,3)8-12(4-5-12)9-14-7-6-13-10-14;1-5-16-11(15)13-7-6-10(14)9(8-13)12(2,3)4;1-10(2,3)6-8-15-7-5-9(14-15)11(4,12)13;1-11(2,3)8-14-12-9-6-4-5-7-10(9)13-14;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)12-7-8-10-5-4-6-11-8;2*1-9(2,3)5-8-11-7-4-6-10-11/h8H,6-7,9-10H2,1-5H3;8-9H,5-7,10-11H2,1-4H3;5-6,9H,7-8,10-11H2,1-4H3;4-12H2,1-3H3;4-11H2,1-3H3;10H,5-9H2,1-4H3;4-8H,9H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3;9H,5-8H2,1-4H3;5,7H,6,8H2,1-4H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;2*4,6-7H,5,8H2,1-3H3.

What are the key properties of 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine?

4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine has a molecular weight of 2947.49 g/mol, XLogP of 44.08, 36 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-(1,1-difluoroethyl)-1-(3,3-dimethylbutyl)pyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);2-(2,2-dimethylpropyl)benzotriazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-3,5-dimethylpyrazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-ethylimidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]imidazole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-methylpyrrole;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]piperidine;1-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]pyrrolidine;1-(2,2-dimethylpropyl)-5-phenyltetrazole;ethyl 3-tert-butyl-4-oxopiperidine-1-carboxylate;3-[(2-methylpropan-2-yl)oxymethyl]pyridine;2-[(2-methylpropan-2-yl)oxymethyl]pyrimidine is sourced from PubChem (CID 159480374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).