3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C90H193F4N11 — CID 159974923

IUPAC3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.C.C.CC(C)CN1CC(F)(F)C1.CC(C)CN1CCC(C)(F)C1.CC(C)CN1CCC(C)(F)CC1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C10H20FN.C10H21N.C9H18FN.C9H20N2.3C9H19N.C8H17N.C7H13F2N.C7H15N.3CH4/c1-9(2)8-12-6-4-10(3,11)5-7-12;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-11-5-4-9(3,10)7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-6(2)3-10-4-7(8,9)5-10;1-7(2)6-8-4-3-5-8;;;/h9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*1H4
InChIKeyOFAIXWKNKPFMRP-UHFFFAOYSA-N
MW1505.60 g/mol
LogP20.78
Rot. Bonds20

About 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 159974923) has the molecular formula C90H193F4N11 and a molecular weight of 1505.60 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID159974923
Molecular FormulaC90H193F4N11
Molecular Weight1505.60 g/mol
Exact Mass1504.54
IUPAC Name3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESC.C.C.CC(C)CN1CC(F)(F)C1.CC(C)CN1CCC(C)(F)C1.CC(C)CN1CCC(C)(F)CC1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C10H20FN.C10H21N.C9H18FN.C9H20N2.3C9H19N.C8H17N.C7H13F2N.C7H15N.3CH4/c1-9(2)8-12-6-4-10(3,11)5-7-12;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-11-5-4-9(3,10)7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-6(2)3-10-4-7(8,9)5-10;1-7(2)6-8-4-3-5-8;;;/h9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*1H4
InChIKeyOFAIXWKNKPFMRP-UHFFFAOYSA-N
XLogP20.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.60
LogP ≤ 520.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine with MolForge

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Related Compounds

3,3-Difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 159093463
3,3-difluoro-1-propan-2-ylazetidine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-yl-1,3-diazetidine;bis(1-methyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperidine
CID 163644876
Bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
CID 164981437
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 164982093
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-ethyl-3-methylazetidine;1-ethyl-3-methylpiperidine;1-ethyl-4-methylpiperidine;1-ethyl-3-methylpyrrolidine;methane;3-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylpiperidine;molecular fluorine
CID 158043701
3-Fluoro-3-methyl-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 160310205

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 159974923) is 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is C.C.C.CC(C)CN1CC(F)(F)C1.CC(C)CN1CCC(C)(F)C1.CC(C)CN1CCC(C)(F)CC1.CC(C)CN1CCC(C)CC1.CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is OFAIXWKNKPFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN.C10H21N.C9H18FN.C9H20N2.3C9H19N.C8H17N.C7H13F2N.C7H15N.3CH4/c1-9(2)8-12-6-4-10(3,11)5-7-12;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-11-5-4-9(3,10)7-11;1-9(2)8-11-6-4-10(3)5-7-11;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-6(2)3-10-4-7(8,9)5-10;1-7(2)6-8-4-3-5-8;;;/h9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;3*1H4.
What are the key properties of 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 1505.60 g/mol, XLogP of 20.78, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpropyl)azetidine;4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)pyrrolidine;methane;1-methyl-4-(2-methylpropyl)piperazine;4-methyl-1-(2-methylpropyl)piperidine;1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 159974923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).