tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine

C46H70F3N9O4 — CID 158454467

About tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine

tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 158454467) has the molecular formula C46H70F3N9O4 and a molecular weight of 870.12 g/mol. Its IUPAC name is tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine
• PubChem CID: 158454467
• Molecular Formula: C46H70F3N9O4
• Molecular Weight: 870.12 g/mol
• Exact Mass: 869.55
• IUPAC Name: tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine
• SMILES: C1CC(NCC2CC2)CCN1.CC(C)(C)OC(=O)N1CCC(N)C(F)C1.Cc1cc(F)c2nc(N3CCC(NCC4CC4)C(F)C3)c(-c3nc(C)no3)c(C)c2c1.O=CC1CC1
• InChI: InChI=1S/C23H27F2N5O.C10H19FN2O2.C9H18N2.C4H6O/c1-12-8-16-13(2)20(23-27-14(3)29-31-23)22(28-21(16)17(24)9-12)30-7-6-19(18(25)11-30)26-10-15-4-5-15;1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13;1-2-8(1)7-11-9-3-5-10-6-4-9;5-3-4-1-2-4/h8-9,15,18-19,26H,4-7,10-11H2,1-3H3;7-8H,4-6,12H2,1-3H3;8-11H,1-7H2;3-4H,1-2H2
• InChIKey: HEKAXEQZUPQNEH-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 163.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	870.12
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine?

The IUPAC name of tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine (CID 158454467) is tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine.

What is the SMILES notation for tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine?

The canonical SMILES for tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine is C1CC(NCC2CC2)CCN1.CC(C)(C)OC(=O)N1CCC(N)C(F)C1.Cc1cc(F)c2nc(N3CCC(NCC4CC4)C(F)C3)c(-c3nc(C)no3)c(C)c2c1.O=CC1CC1.

What is the InChIKey of tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine?

The InChIKey is HEKAXEQZUPQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O.C10H19FN2O2.C9H18N2.C4H6O/c1-12-8-16-13(2)20(23-27-14(3)29-31-23)22(28-21(16)17(24)9-12)30-7-6-19(18(25)11-30)26-10-15-4-5-15;1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13;1-2-8(1)7-11-9-3-5-10-6-4-9;5-3-4-1-2-4/h8-9,15,18-19,26H,4-7,10-11H2,1-3H3;7-8H,4-6,12H2,1-3H3;8-11H,1-7H2;3-4H,1-2H2.

What are the key properties of tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine?

tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 870.12 g/mol, XLogP of 6.89, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;cyclopropanecarbaldehyde;N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 158454467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).