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

C79H119ClF2N14O11 — CID 159766132

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

tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine (PubChem CID 159766132) has the molecular formula C79H119ClF2N14O11 and a molecular weight of 1514.36 g/mol. Its IUPAC name is tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine
• PubChem CID: 159766132
• Molecular Formula: C79H119ClF2N14O11
• Molecular Weight: 1514.36 g/mol
• Exact Mass: 1512.88
• IUPAC Name: tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine
• SMILES: C1COC[C@H](NC2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCOC2)CC1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1.N[C@@H]1CCCOC1
• InChI: InChI=1S/C24H30FN5O2.C15H13ClFN3O.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-13-5-4-10-19-11-13;1-2-10(8-13-7-1)12-9-3-5-11-6-4-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-2-1-3-7-4-5/h11-13,18-19,27H,3-10,14H2,1-2H3;5-6H,4H2,1-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2/t19-;;13-;10-;;5-/m1.11.1/s1
• InChIKey: NFNFUULYIMVRQB-SCSCWDQTSA-N
• XLogP: 12.66
• TPSA: 294.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1514.36
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine?

The IUPAC name of tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine (CID 159766132) is tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine.

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

The canonical SMILES for tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine is C1COC[C@H](NC2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCOC2)CC1.CCc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)cc2c1.N[C@@H]1CCCOC1.

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

The InChIKey is NFNFUULYIMVRQB-SCSCWDQTSA-N. The full InChI is InChI=1S/C24H30FN5O2.C15H13ClFN3O.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-3-16-11-17-13-20(24-26-15(2)29-32-24)23(28-22(17)21(25)12-16)30-8-6-18(7-9-30)27-19-5-4-10-31-14-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-13-5-4-10-19-11-13;1-2-10(8-13-7-1)12-9-3-5-11-6-4-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-2-1-3-7-4-5/h11-13,18-19,27H,3-10,14H2,1-2H3;5-6H,4H2,1-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2/t19-;;13-;10-;;5-/m1.11.1/s1.

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

tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine has a molecular weight of 1514.36 g/mol, XLogP of 12.66, 11 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine is sourced from PubChem (CID 159766132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).