tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate

C178H242N6O12 — CID 158840504

About tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate

tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate (PubChem CID 158840504) has the molecular formula C178H242N6O12 and a molecular weight of 2657.92 g/mol. Its IUPAC name is tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

• Compound Name: tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate
• PubChem CID: 158840504
• Molecular Formula: C178H242N6O12
• Molecular Weight: 2657.92 g/mol
• Exact Mass: 2655.85
• IUPAC Name: tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate
• SMILES: CC(C)(C)OC(=O)N1CCC(CCC2CC23CCCc2ccccc23)CC1.CC(C)(C)OC(=O)N1CCCC(CCC2CC23CCCc2ccccc23)C1.CC(C)(C)OC(=O)N1CCCCC1CCC1CC12CCCc1ccccc12.CC(C)(C)OC(=O)c1ccc(CN2CCC(CCC3CC34CCCc3ccccc34)CC2)cc1.COC(=O)c1ccc(CN2CCC(CCC3CC34CCCc3ccccc34)CC2)cc1.COC(=O)c1ccc(CN2CCC(CCC3CC34CCc3ccccc34)CC2)cc1.c1ccc2c(c1)CCCC21CC1CCC1CCCCC1
• InChI: InChI=1S/C31H41NO2.C28H35NO2.C27H33NO2.3C24H35NO2.C20H28/c1-30(2,3)34-29(33)26-13-10-24(11-14-26)22-32-19-16-23(17-20-32)12-15-27-21-31(27)18-6-8-25-7-4-5-9-28(25)31;1-31-27(30)24-11-8-22(9-12-24)20-29-17-14-21(15-18-29)10-13-25-19-28(25)16-4-6-23-5-2-3-7-26(23)28;1-30-26(29)23-9-6-21(7-10-23)19-28-16-13-20(14-17-28)8-11-24-18-27(24)15-12-22-4-2-3-5-25(22)27;1-23(2,3)27-22(26)25-15-7-8-18(17-25)12-13-20-16-24(20)14-6-10-19-9-4-5-11-21(19)24;1-23(2,3)27-22(26)25-16-7-6-11-20(25)14-13-19-17-24(19)15-8-10-18-9-4-5-12-21(18)24;1-23(2,3)27-22(26)25-15-12-18(13-16-25)10-11-20-17-24(20)14-6-8-19-7-4-5-9-21(19)24;1-2-7-16(8-3-1)12-13-18-15-20(18)14-6-10-17-9-4-5-11-19(17)20/h4-5,7,9-11,13-14,23,27H,6,8,12,15-22H2,1-3H3;2-3,5,7-9,11-12,21,25H,4,6,10,13-20H2,1H3;2-7,9-10,20,24H,8,11-19H2,1H3;4-5,9,11,18,20H,6-8,10,12-17H2,1-3H3;4-5,9,12,19-20H,6-8,10-11,13-17H2,1-3H3;4-5,7,9,18,20H,6,8,10-17H2,1-3H3;4-5,9,11,16,18H,1-3,6-8,10,12-15H2
• InChIKey: IYEHBFGBOVGILY-UHFFFAOYSA-N
• XLogP: 40.96
• TPSA: 177.24 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.92
LogP ≤ 5	40.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate?

The IUPAC name of tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate (CID 158840504) is tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate.

What is the SMILES notation for tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate?

The canonical SMILES for tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate is CC(C)(C)OC(=O)N1CCC(CCC2CC23CCCc2ccccc23)CC1.CC(C)(C)OC(=O)N1CCCC(CCC2CC23CCCc2ccccc23)C1.CC(C)(C)OC(=O)N1CCCCC1CCC1CC12CCCc1ccccc12.CC(C)(C)OC(=O)c1ccc(CN2CCC(CCC3CC34CCCc3ccccc34)CC2)cc1.COC(=O)c1ccc(CN2CCC(CCC3CC34CCCc3ccccc34)CC2)cc1.COC(=O)c1ccc(CN2CCC(CCC3CC34CCc3ccccc34)CC2)cc1.c1ccc2c(c1)CCCC21CC1CCC1CCCCC1.

What is the InChIKey of tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate?

The InChIKey is IYEHBFGBOVGILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2.C28H35NO2.C27H33NO2.3C24H35NO2.C20H28/c1-30(2,3)34-29(33)26-13-10-24(11-14-26)22-32-19-16-23(17-20-32)12-15-27-21-31(27)18-6-8-25-7-4-5-9-28(25)31;1-31-27(30)24-11-8-22(9-12-24)20-29-17-14-21(15-18-29)10-13-25-19-28(25)16-4-6-23-5-2-3-7-26(23)28;1-30-26(29)23-9-6-21(7-10-23)19-28-16-13-20(14-17-28)8-11-24-18-27(24)15-12-22-4-2-3-5-25(22)27;1-23(2,3)27-22(26)25-15-7-8-18(17-25)12-13-20-16-24(20)14-6-10-19-9-4-5-11-21(19)24;1-23(2,3)27-22(26)25-16-7-6-11-20(25)14-13-19-17-24(19)15-8-10-18-9-4-5-12-21(18)24;1-23(2,3)27-22(26)25-15-12-18(13-16-25)10-11-20-17-24(20)14-6-8-19-7-4-5-9-21(19)24;1-2-7-16(8-3-1)12-13-18-15-20(18)14-6-10-17-9-4-5-11-19(17)20/h4-5,7,9-11,13-14,23,27H,6,8,12,15-22H2,1-3H3;2-3,5,7-9,11-12,21,25H,4,6,10,13-20H2,1H3;2-7,9-10,20,24H,8,11-19H2,1H3;4-5,9,11,18,20H,6-8,10,12-17H2,1-3H3;4-5,9,12,19-20H,6-8,10-11,13-17H2,1-3H3;4-5,7,9,18,20H,6,8,10-17H2,1-3H3;4-5,9,11,16,18H,1-3,6-8,10,12-15H2.

What are the key properties of tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate?

tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate has a molecular weight of 2657.92 g/mol, XLogP of 40.96, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 3-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidine-1-carboxylate;tert-butyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;2'-(2-cyclohexylethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane];methyl 4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate;methyl 4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 158840504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).