2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride

C52H66Cl4F8N10O — CID 167678930

About 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride

2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride (PubChem CID 167678930) has the molecular formula C52H66Cl4F8N10O and a molecular weight of 1140.96 g/mol. Its IUPAC name is 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride
• PubChem CID: 167678930
• Molecular Formula: C52H66Cl4F8N10O
• Molecular Weight: 1140.96 g/mol
• Exact Mass: 1138.40
• IUPAC Name: 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride
• SMILES: COc1ccc(CNc2cc(C)cc(N3CCC(F)(F)CC3)n2)cc1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1.Cc1cc(N)nc(N2CCC(F)(F)CC2)c1.Cl.FC1(F)CCNCC1
• InChI: InChI=1S/C19H23F2N3O.C11H13ClF2N2.C11H15F2N3.C6H5Cl2N.C5H9F2N.ClH/c1-14-11-17(22-13-15-3-5-16(25-2)6-4-15)23-18(12-14)24-9-7-19(20,21)8-10-24;1-8-6-9(12)15-10(7-8)16-4-2-11(13,14)3-5-16;1-8-6-9(14)15-10(7-8)16-4-2-11(12,13)3-5-16;1-4-2-5(7)9-6(8)3-4;6-5(7)1-3-8-4-2-5;/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23);6-7H,2-5H2,1H3;6-7H,2-5H2,1H3,(H2,14,15);2-3H,1H3;8H,1-4H2;1H
• InChIKey: YRQWBWBGHHWLSA-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 120.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.96
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride?

The IUPAC name of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride (CID 167678930) is 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride.

What is the SMILES notation for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride?

The canonical SMILES for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride is COc1ccc(CNc2cc(C)cc(N3CCC(F)(F)CC3)n2)cc1.Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1.Cc1cc(N)nc(N2CCC(F)(F)CC2)c1.Cl.FC1(F)CCNCC1.

What is the InChIKey of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride?

The InChIKey is YRQWBWBGHHWLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O.C11H13ClF2N2.C11H15F2N3.C6H5Cl2N.C5H9F2N.ClH/c1-14-11-17(22-13-15-3-5-16(25-2)6-4-15)23-18(12-14)24-9-7-19(20,21)8-10-24;1-8-6-9(12)15-10(7-8)16-4-2-11(13,14)3-5-16;1-8-6-9(14)15-10(7-8)16-4-2-11(12,13)3-5-16;1-4-2-5(7)9-6(8)3-4;6-5(7)1-3-8-4-2-5;/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23);6-7H,2-5H2,1H3;6-7H,2-5H2,1H3,(H2,14,15);2-3H,1H3;8H,1-4H2;1H.

What are the key properties of 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride?

2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride has a molecular weight of 1140.96 g/mol, XLogP of 13.86, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluoropiperidine;6-(4,4-difluoropiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine;6-(4,4-difluoropiperidin-1-yl)-4-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 167678930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).