5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane

C149H230Cl7F9N8O2 — CID 158339570

About 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane

5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 158339570) has the molecular formula C149H230Cl7F9N8O2 and a molecular weight of 2584.69 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

• Compound Name: 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
• PubChem CID: 158339570
• Molecular Formula: C149H230Cl7F9N8O2
• Molecular Weight: 2584.69 g/mol
• Exact Mass: 2579.58
• IUPAC Name: 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
• SMILES: CC.CC.CC.CC(C)(C)C1CCN(Cc2cc(C(F)(F)F)cc(C3CC3)n2)CC1.CC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(Cl)(C3)C2.C[C@H]1CC[C@H]2C[C@@H]1C2(C)C.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1
• InChI: InChI=1S/C19H27F3N2.C17H26FN.C16H23Cl2N.C16H23ClFN.C16H25NO.C14H16ClF4N.C13H20ClNO.2C11H17Cl.C10H18.3C2H6/c1-18(2,3)14-6-8-24(9-7-14)12-16-10-15(19(20,21)22)11-17(23-16)13-4-5-13;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-16(2,3)13-4-6-19(7-5-13)11-12-8-14(17)10-15(18)9-12;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5;2*1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-7-4-5-8-6-9(7)10(8,2)3;3*1-2/h10-11,13-14H,4-9,12H2,1-3H3;5-6,11,15H,7-10,12H2,1-4H3;8-10,13H,4-7,11H2,1-3H3;8-9,11,13H,4-7,10H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3;6-7,9H,8H2,1-5H3;2*7-10H,2-6H2,1H3;7-9H,4-6H2,1-3H3;3*1-2H3/t;;;;;;;;;7-,8-,9-;;;/m.........0.../s1
• InChIKey: GQZLLKLPUHUOJG-DWDGJDQLSA-N
• XLogP: 45.47
• TPSA: 73.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2584.69
LogP ≤ 5	45.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane?

The IUPAC name of 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 158339570) is 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane.

What is the SMILES notation for 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane?

The canonical SMILES for 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane is CC.CC.CC.CC(C)(C)C1CCN(Cc2cc(C(F)(F)F)cc(C3CC3)n2)CC1.CC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.CC(C)COc1ncc(C(C)(C)C)cc1Cl.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(Cl)(C3)C2.C[C@H]1CC[C@H]2C[C@@H]1C2(C)C.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1.

What is the InChIKey of 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane?

The InChIKey is GQZLLKLPUHUOJG-DWDGJDQLSA-N. The full InChI is InChI=1S/C19H27F3N2.C17H26FN.C16H23Cl2N.C16H23ClFN.C16H25NO.C14H16ClF4N.C13H20ClNO.2C11H17Cl.C10H18.3C2H6/c1-18(2,3)14-6-8-24(9-7-14)12-16-10-15(19(20,21)22)11-17(23-16)13-4-5-13;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-16(2,3)13-4-6-19(7-5-13)11-12-8-14(17)10-15(18)9-12;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19;1-9(2)8-16-12-11(14)6-10(7-15-12)13(3,4)5;2*1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-7-4-5-8-6-9(7)10(8,2)3;3*1-2/h10-11,13-14H,4-9,12H2,1-3H3;5-6,11,15H,7-10,12H2,1-4H3;8-10,13H,4-7,11H2,1-3H3;8-9,11,13H,4-7,10H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3;6-7,9H,8H2,1-5H3;2*7-10H,2-6H2,1H3;7-9H,4-6H2,1-3H3;3*1-2H3/t;;;;;;;;;7-,8-,9-;;;/m.........0.../s1.

What are the key properties of 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane?

5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 2584.69 g/mol, XLogP of 45.47, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-chloro-2-(2-methylpropoxy)pyridine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]piperidine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;bis(1-chloro-4-methyladamantane);1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine;ethane;(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 158339570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).