3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C78H172FN9O4 — CID 157394091

About 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 157394091) has the molecular formula C78H172FN9O4 and a molecular weight of 1319.29 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
• PubChem CID: 157394091
• Molecular Formula: C78H172FN9O4
• Molecular Weight: 1319.29 g/mol
• Exact Mass: 1318.35
• IUPAC Name: 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
• SMILES: C.C.C.CC(C)C1CCNC1.CC(C)CCN1CCCCC1.CC(C)CN1CCC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CCC(O)COC(C)C
• InChI: InChI=1S/C10H21N.C8H16FN.C8H17NO.C8H17N.C7H15NO.3C7H15N.C7H16O2.C6H13N.3CH4/c1-10(2)6-9-11-7-4-3-5-8-11;1-7(2)5-10-4-3-8(9)6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-7(2)6-8-4-3-5-8;1-7(2)8-5-3-4-6-8;1-4-7(8)5-9-6(2)3;1-6(2)7-4-3-5-7;;;/h10H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;6-8H,4-5H2,1-3H3;6H,3-5H2,1-2H3;3*1H4
• InChIKey: BMJBCFWMOKTYGF-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 85.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.29
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The IUPAC name of 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 157394091) is 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The canonical SMILES for 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is C.C.C.CC(C)C1CCNC1.CC(C)CCN1CCCCC1.CC(C)CN1CCC(F)C1.CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CCC(O)COC(C)C.

What is the InChIKey of 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

The InChIKey is BMJBCFWMOKTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H16FN.C8H17NO.C8H17N.C7H15NO.3C7H15N.C7H16O2.C6H13N.3CH4/c1-10(2)6-9-11-7-4-3-5-8-11;1-7(2)5-10-4-3-8(9)6-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-7(2)6-8-4-3-5-8;1-7(2)8-5-3-4-6-8;1-4-7(8)5-9-6(2)3;1-6(2)7-4-3-5-7;;;/h10H,3-9H2,1-2H3;7-8H,3-6H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;6-8H,4-5H2,1-3H3;6H,3-5H2,1-2H3;3*1H4.

What are the key properties of 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?

3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 1319.29 g/mol, XLogP of 15.93, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-1-(2-methylpropyl)pyrrolidine;methane;1-(3-methylbutyl)piperidine;1-(2-methylpropyl)azetidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-yloxybutan-2-ol;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 157394091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).