tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine

C110H143Cl3F6N20O15 — CID 157417399

About tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine

tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine (PubChem CID 157417399) has the molecular formula C110H143Cl3F6N20O15 and a molecular weight of 2205.83 g/mol. Its IUPAC name is tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine
• PubChem CID: 157417399
• Molecular Formula: C110H143Cl3F6N20O15
• Molecular Weight: 2205.83 g/mol
• Exact Mass: 2203.00
• IUPAC Name: tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine
• SMILES: C1CC(NC2CCOCC2)CCN1.CC(=O)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(NC2CCOCC2)CC1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)F)cc3c2C)n1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)O)cc3c2C)n1.Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(C(C)F)cc3c2C)n1.NC1CCOCC1
• InChI: InChI=1S/C25H31F2N5O2.C15H12ClF2N3O.C15H13ClFN3O2.C15H11ClFN3O2.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19;1-6-10-4-9(7(2)17)5-11(18)13(10)20-14(16)12(6)15-19-8(3)21-22-15;2*1-6-10-4-9(7(2)21)5-11(17)13(10)19-14(16)12(6)15-18-8(3)20-22-15;1-15(2,3)20-14(18)17-8-4-12(5-9-17)16-13-6-10-19-11-7-13;1-5-11-6-2-9(1)12-10-3-7-13-8-4-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-1-3-7-4-2-5/h12-13,15,18-19,29H,4-11H2,1-3H3;4-5,7H,1-3H3;4-5,7,21H,1-3H3;4-5H,1-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2
• InChIKey: BOZYFZBTWHSSJI-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 434.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.83
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine?

The IUPAC name of tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine (CID 157417399) is tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine.

What is the SMILES notation for tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine?

The canonical SMILES for tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine is C1CC(NC2CCOCC2)CCN1.CC(=O)c1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(NC2CCOCC2)CC1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)F)cc3c2C)n1.Cc1noc(-c2c(Cl)nc3c(F)cc(C(C)O)cc3c2C)n1.Cc1noc(-c2c(N3CCC(NC4CCOCC4)CC3)nc3c(F)cc(C(C)F)cc3c2C)n1.NC1CCOCC1.

What is the InChIKey of tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine?

The InChIKey is BOZYFZBTWHSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N5O2.C15H12ClF2N3O.C15H13ClFN3O2.C15H11ClFN3O2.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19;1-6-10-4-9(7(2)17)5-11(18)13(10)20-14(16)12(6)15-19-8(3)21-22-15;2*1-6-10-4-9(7(2)21)5-11(17)13(10)19-14(16)12(6)15-18-8(3)20-22-15;1-15(2,3)20-14(18)17-8-4-12(5-9-17)16-13-6-10-19-11-7-13;1-5-11-6-2-9(1)12-10-3-7-13-8-4-10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-1-3-7-4-2-5/h12-13,15,18-19,29H,4-11H2,1-3H3;4-5,7H,1-3H3;4-5,7,21H,1-3H3;4-5H,1-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2.

What are the key properties of tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine?

tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 2205.83 g/mol, XLogP of 21.55, 15 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(oxan-4-ylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-[2-chloro-8-fluoro-6-(1-fluoroethyl)-4-methylquinolin-3-yl]-3-methyl-1,2,4-oxadiazole;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanol;1-[2-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-6-yl]ethanone;1-[8-fluoro-6-(1-fluoroethyl)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;oxan-4-amine;N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 157417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).