benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine

C130H140Cl11F2N13O13 — CID 158585726

About benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine

benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine (PubChem CID 158585726) has the molecular formula C130H140Cl11F2N13O13 and a molecular weight of 2520.61 g/mol. Its IUPAC name is benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine.

Molecular Properties

• Compound Name: benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine
• PubChem CID: 158585726
• Molecular Formula: C130H140Cl11F2N13O13
• Molecular Weight: 2520.61 g/mol
• Exact Mass: 2513.72
• IUPAC Name: benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine
• SMILES: C=C(C)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(Cl)n1.CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)nc(Cl)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)c2)CC1.CCC(C)(O)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)c(Cl)c2)n1.Cc1cc(Cl)nc(Cl)c1.O=C(OCc1ccccc1)N1CCC(c2cc(Cl)nc(Cl)c2)CC1
• InChI: InChI=1S/C28H30ClFN2O3.C27H26ClFN2O2.C21H23ClN2O2.C18H18Cl2N2O2.C15H20Cl2N2O2.C15H18Cl2N2O2.C6H5Cl2N/c1-3-28(2,34)26-17-22(16-25(31-26)21-9-10-24(30)23(29)15-21)20-11-13-32(14-12-20)27(33)35-18-19-7-5-4-6-8-19;1-18(2)25-15-22(16-26(30-25)21-8-9-24(29)23(28)14-21)20-10-12-31(13-11-20)27(32)33-17-19-6-4-3-5-7-19;1-15(2)19-12-18(13-20(22)23-19)17-8-10-24(11-9-17)21(25)26-14-16-6-4-3-5-7-16;19-16-10-15(11-17(20)21-16)14-6-8-22(9-7-14)18(23)24-12-13-4-2-1-3-5-13;2*1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)18-13(17)9-11;1-4-2-5(7)9-6(8)3-4/h4-10,15-17,20,34H,3,11-14,18H2,1-2H3;3-9,14-16,20H,1,10-13,17H2,2H3;3-7,12-13,17H,1,8-11,14H2,2H3;1-5,10-11,14H,6-9,12H2;8-10H,4-7H2,1-3H3;4,8-9H,5-7H2,1-3H3;2-3H,1H3
• InChIKey: HTUMDSARGNMWDC-UHFFFAOYSA-N
• XLogP: 35.57
• TPSA: 287.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.61
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine?

The IUPAC name of benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine (CID 158585726) is benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine.

What is the SMILES notation for benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine?

The canonical SMILES for benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine is C=C(C)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(Cl)n1.CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)nc(Cl)c2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)c2)CC1.CCC(C)(O)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)c(Cl)c2)n1.Cc1cc(Cl)nc(Cl)c1.O=C(OCc1ccccc1)N1CCC(c2cc(Cl)nc(Cl)c2)CC1.

What is the InChIKey of benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine?

The InChIKey is HTUMDSARGNMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O3.C27H26ClFN2O2.C21H23ClN2O2.C18H18Cl2N2O2.C15H20Cl2N2O2.C15H18Cl2N2O2.C6H5Cl2N/c1-3-28(2,34)26-17-22(16-25(31-26)21-9-10-24(30)23(29)15-21)20-11-13-32(14-12-20)27(33)35-18-19-7-5-4-6-8-19;1-18(2)25-15-22(16-26(30-25)21-8-9-24(29)23(28)14-21)20-10-12-31(13-11-20)27(32)33-17-19-6-4-3-5-7-19;1-15(2)19-12-18(13-20(22)23-19)17-8-10-24(11-9-17)21(25)26-14-16-6-4-3-5-7-16;19-16-10-15(11-17(20)21-16)14-6-8-22(9-7-14)18(23)24-12-13-4-2-1-3-5-13;2*1-15(2,3)21-14(20)19-6-4-10(5-7-19)11-8-12(16)18-13(17)9-11;1-4-2-5(7)9-6(8)3-4/h4-10,15-17,20,34H,3,11-14,18H2,1-2H3;3-9,14-16,20H,1,10-13,17H2,2H3;3-7,12-13,17H,1,8-11,14H2,2H3;1-5,10-11,14H,6-9,12H2;8-10H,4-7H2,1-3H3;4,8-9H,5-7H2,1-3H3;2-3H,1H3.

What are the key properties of benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine?

benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine has a molecular weight of 2520.61 g/mol, XLogP of 35.57, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperidine-1-carboxylate;benzyl 4-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)piperidine-1-carboxylate;benzyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperidine-1-carboxylate;2,6-dichloro-4-methylpyridine is sourced from PubChem (CID 158585726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).