4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine

C47H97FN6 — CID 167590626

IUPAC4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1(F)CCN(C)CC1.CC(C)C12CCN(CC1)CC2.CC(C)C1CC(N)C1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CNC1
InChIInChI=1S/C10H19N.C9H18FN.C8H17N.2C7H15N.C6H13N/c1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)9(10)4-6-11(3)7-5-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7(8)4-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-6/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;5-7H,3-4,8H2,1-2H3;6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyIJROESVZETXIJT-UHFFFAOYSA-N
MW765.33 g/mol
LogP9.34
Rot. Bonds6

About 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine

4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine (PubChem CID 167590626) has the molecular formula C47H97FN6 and a molecular weight of 765.33 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
PubChem CID167590626
Molecular FormulaC47H97FN6
Molecular Weight765.33 g/mol
Exact Mass764.78
IUPAC Name4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine
SMILESCC(C)C1(F)CCN(C)CC1.CC(C)C12CCN(CC1)CC2.CC(C)C1CC(N)C1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CNC1
InChIInChI=1S/C10H19N.C9H18FN.C8H17N.2C7H15N.C6H13N/c1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)9(10)4-6-11(3)7-5-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7(8)4-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-6/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;5-7H,3-4,8H2,1-2H3;6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyIJROESVZETXIJT-UHFFFAOYSA-N
XLogP9.34
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.33
LogP ≤ 59.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine with MolForge

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Related Compounds

3-Azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;tetrakis(2,2-dimethylpropane);piperidine;piperidine-3,6-diide;yttrium
CID 167532829
2-Tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane
CID 167573665

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine (CID 167590626) is 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine is CC(C)C1(F)CCN(C)CC1.CC(C)C12CCN(CC1)CC2.CC(C)C1CC(N)C1.CC(C)C1CCNC1.CC(C)C1CCNCC1.CC(C)C1CNC1.
What is the InChIKey of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
The InChIKey is IJROESVZETXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H18FN.C8H17N.2C7H15N.C6H13N/c1-9(2)10-3-6-11(7-4-10)8-5-10;1-8(2)9(10)4-6-11(3)7-5-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7(8)4-6;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-6/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;5-7H,3-4,8H2,1-2H3;6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine?
4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine has a molecular weight of 765.33 g/mol, XLogP of 9.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;4-propan-2-yl-1-azabicyclo[2.2.2]octane;3-propan-2-ylazetidine;3-propan-2-ylcyclobutan-1-amine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 167590626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).