bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine

C107H183N15O2 — CID 157150074

About bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine

bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine (PubChem CID 157150074) has the molecular formula C107H183N15O2 and a molecular weight of 1711.74 g/mol. Its IUPAC name is bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine.

Molecular Properties

• Compound Name: bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
• PubChem CID: 157150074
• Molecular Formula: C107H183N15O2
• Molecular Weight: 1711.74 g/mol
• Exact Mass: 1710.47
• IUPAC Name: bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
• SMILES: CC(C)(C)N1CCCC(Oc2ccccc2)C1.CC(C)(C)N1CCC[C@@H](Cc2cnc[nH]2)C1.CCc1ccn(C[C@@H]2CCCN(C(C)(C)C)C2)c1.CCc1ccn(C[C@H]2CCCN(C(C)(C)C)C2)c1.CCc1ccn(C[C@H]2CCCN(C(C)(C)C)C2)c1.Cc1ccc(OC2CCCN(C(C)(C)C)C2)cn1.Cc1nc(C)n(C[C@H]2CCCN(C(C)(C)C)C2)c1C
• InChI: InChI=1S/C16H29N3.3C16H28N2.C15H24N2O.C15H23NO.C13H23N3/c1-12-13(2)19(14(3)17-12)11-15-8-7-9-18(10-15)16(4,5)6;3*1-5-14-8-10-17(11-14)12-15-7-6-9-18(13-15)16(2,3)4;1-12-7-8-13(10-16-12)18-14-6-5-9-17(11-14)15(2,3)4;1-15(2,3)16-11-7-10-14(12-16)17-13-8-5-4-6-9-13;1-13(2,3)16-6-4-5-11(9-16)7-12-8-14-10-15-12/h15H,7-11H2,1-6H3;3*8,10-11,15H,5-7,9,12-13H2,1-4H3;7-8,10,14H,5-6,9,11H2,1-4H3;4-6,8-9,14H,7,10-12H2,1-3H3;8,10-11H,4-7,9H2,1-3H3,(H,14,15)/t4*15-;;;11-/m0110..0/s1
• InChIKey: ALDRBOVYWXNWOH-GZYGMBAFSA-N
• XLogP: 22.82
• TPSA: 115.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.74
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?

The IUPAC name of bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine (CID 157150074) is bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine.

What is the SMILES notation for bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?

The canonical SMILES for bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine is CC(C)(C)N1CCCC(Oc2ccccc2)C1.CC(C)(C)N1CCC[C@@H](Cc2cnc[nH]2)C1.CCc1ccn(C[C@@H]2CCCN(C(C)(C)C)C2)c1.CCc1ccn(C[C@H]2CCCN(C(C)(C)C)C2)c1.CCc1ccn(C[C@H]2CCCN(C(C)(C)C)C2)c1.Cc1ccc(OC2CCCN(C(C)(C)C)C2)cn1.Cc1nc(C)n(C[C@H]2CCCN(C(C)(C)C)C2)c1C.

What is the InChIKey of bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?

The InChIKey is ALDRBOVYWXNWOH-GZYGMBAFSA-N. The full InChI is InChI=1S/C16H29N3.3C16H28N2.C15H24N2O.C15H23NO.C13H23N3/c1-12-13(2)19(14(3)17-12)11-15-8-7-9-18(10-15)16(4,5)6;3*1-5-14-8-10-17(11-14)12-15-7-6-9-18(13-15)16(2,3)4;1-12-7-8-13(10-16-12)18-14-6-5-9-17(11-14)15(2,3)4;1-15(2,3)16-11-7-10-14(12-16)17-13-8-5-4-6-9-13;1-13(2,3)16-6-4-5-11(9-16)7-12-8-14-10-15-12/h15H,7-11H2,1-6H3;3*8,10-11,15H,5-7,9,12-13H2,1-4H3;7-8,10,14H,5-6,9,11H2,1-4H3;4-6,8-9,14H,7,10-12H2,1-3H3;8,10-11H,4-7,9H2,1-3H3,(H,14,15)/t4*15-;;;11-/m0110..0/s1.

What are the key properties of bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?

bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine has a molecular weight of 1711.74 g/mol, XLogP of 22.82, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 157150074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).