tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone

C155H319F5N36O12 — CID 165012030

IUPACtert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)CC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(F)(F)C1.CC1CN(C)CC(F)(F)C1.CCN1CCOCC1.CN(C)C.CN1CCC(C)(F)CC1.CN1CCN(C)CC1.CN1CCN(CC(=O)O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2C[C@H]1CN2C.CN1C[C@@H]2C[C@H]1CN2CCO.CN1C[C@H]2C[C@@H]1CN2.CN1C[C@H]2C[C@@H]1CN2C.CN1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C.CN1C[C@H]2C[C@@H]1CN2CCO.COCCN1CCN(C)CC1.COCCN1C[C@@H]2C[C@H]1CN2C.COCCN1C[C@H]2C[C@@H]1CN2C
InChIInChI=1S/C11H20N2O2.2C9H18N2O.2C8H16N2O.C8H18N2O.C8H15NO.2C7H13F2N.C7H14FN.C7H14N2O2.C7H16N2O.2C7H14N2.C7H15N.2C6H12N2.C6H14N2.C6H13NO.C6H13N.C5H12N2.C3H9N/c1-11(2,3)15-10(14)13-7-8-5-9(13)6-12(8)4;2*1-10-6-9-5-8(10)7-11(9)3-4-12-2;2*1-9-5-8-4-7(9)6-10(8)2-3-11;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-5-9(6-4-7)8(2)10;2*1-6-3-7(8,9)5-10(2)4-6;1-7(8)3-5-9(2)6-4-7;1-8-2-4-9(5-3-8)6-7(10)11;1-8-2-4-9(5-3-8)6-7-10;2*1-8-4-7-3-6(8)5-9(7)2;1-7-3-5-8(2)6-4-7;2*1-8-4-5-2-6(8)3-7-5;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-4(2)3/h8-9H,5-7H2,1-4H3;2*8-9H,3-7H2,1-2H3;2*7-8,11H,2-6H2,1H3;3-8H2,1-2H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3,(H,10,11);10H,2-7H2,1H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*5-7H,2-4H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;1-3H3/t3*8-,9-;2*7-,8-;;;;;;;;2*6-,7-;;2*5-,6-;;;;;/m11010.......10.10...../s1
InChIKeyJVSLZELFLBJHAG-CYRABAOASA-N
MW2974.49 g/mol
LogP5.94
Rot. Bonds18

About tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone

tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 165012030) has the molecular formula C155H319F5N36O12 and a molecular weight of 2974.49 g/mol. Its IUPAC name is tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone
PubChem CID165012030
Molecular FormulaC155H319F5N36O12
Molecular Weight2974.49 g/mol
Exact Mass2972.54
IUPAC Nametert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)CC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(F)(F)C1.CC1CN(C)CC(F)(F)C1.CCN1CCOCC1.CN(C)C.CN1CCC(C)(F)CC1.CN1CCN(C)CC1.CN1CCN(CC(=O)O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2C[C@H]1CN2C.CN1C[C@@H]2C[C@H]1CN2CCO.CN1C[C@H]2C[C@@H]1CN2.CN1C[C@H]2C[C@@H]1CN2C.CN1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C.CN1C[C@H]2C[C@@H]1CN2CCO.COCCN1CCN(C)CC1.COCCN1C[C@@H]2C[C@H]1CN2C.COCCN1C[C@H]2C[C@@H]1CN2C
InChIInChI=1S/C11H20N2O2.2C9H18N2O.2C8H16N2O.C8H18N2O.C8H15NO.2C7H13F2N.C7H14FN.C7H14N2O2.C7H16N2O.2C7H14N2.C7H15N.2C6H12N2.C6H14N2.C6H13NO.C6H13N.C5H12N2.C3H9N/c1-11(2,3)15-10(14)13-7-8-5-9(13)6-12(8)4;2*1-10-6-9-5-8(10)7-11(9)3-4-12-2;2*1-9-5-8-4-7(9)6-10(8)2-3-11;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-5-9(6-4-7)8(2)10;2*1-6-3-7(8,9)5-10(2)4-6;1-7(8)3-5-9(2)6-4-7;1-8-2-4-9(5-3-8)6-7(10)11;1-8-2-4-9(5-3-8)6-7-10;2*1-8-4-7-3-6(8)5-9(7)2;1-7-3-5-8(2)6-4-7;2*1-8-4-5-2-6(8)3-7-5;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-4(2)3/h8-9H,5-7H2,1-4H3;2*8-9H,3-7H2,1-2H3;2*7-8,11H,2-6H2,1H3;3-8H2,1-2H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3,(H,10,11);10H,2-7H2,1H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*5-7H,2-4H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;1-3H3/t3*8-,9-;2*7-,8-;;;;;;;;2*6-,7-;;2*5-,6-;;;;;/m11010.......10.10...../s1
InChIKeyJVSLZELFLBJHAG-CYRABAOASA-N
XLogP5.94
TPSA321.29 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds18
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002974.49
LogP ≤ 55.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone (CID 165012030) is tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C)CC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(F)(F)C1.CC1CN(C)CC(F)(F)C1.CCN1CCOCC1.CN(C)C.CN1CCC(C)(F)CC1.CN1CCN(C)CC1.CN1CCN(CC(=O)O)CC1.CN1CCN(CCO)CC1.CN1CCNCC1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2C[C@H]1CN2C.CN1C[C@@H]2C[C@H]1CN2CCO.CN1C[C@H]2C[C@@H]1CN2.CN1C[C@H]2C[C@@H]1CN2C.CN1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C.CN1C[C@H]2C[C@@H]1CN2CCO.COCCN1CCN(C)CC1.COCCN1C[C@@H]2C[C@H]1CN2C.COCCN1C[C@H]2C[C@@H]1CN2C.
What is the InChIKey of tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is JVSLZELFLBJHAG-CYRABAOASA-N. The full InChI is InChI=1S/C11H20N2O2.2C9H18N2O.2C8H16N2O.C8H18N2O.C8H15NO.2C7H13F2N.C7H14FN.C7H14N2O2.C7H16N2O.2C7H14N2.C7H15N.2C6H12N2.C6H14N2.C6H13NO.C6H13N.C5H12N2.C3H9N/c1-11(2,3)15-10(14)13-7-8-5-9(13)6-12(8)4;2*1-10-6-9-5-8(10)7-11(9)3-4-12-2;2*1-9-5-8-4-7(9)6-10(8)2-3-11;1-9-3-5-10(6-4-9)7-8-11-2;1-7-3-5-9(6-4-7)8(2)10;2*1-6-3-7(8,9)5-10(2)4-6;1-7(8)3-5-9(2)6-4-7;1-8-2-4-9(5-3-8)6-7(10)11;1-8-2-4-9(5-3-8)6-7-10;2*1-8-4-7-3-6(8)5-9(7)2;1-7-3-5-8(2)6-4-7;2*1-8-4-5-2-6(8)3-7-5;1-7-3-5-8(2)6-4-7;1-2-7-3-5-8-6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-4(2)3/h8-9H,5-7H2,1-4H3;2*8-9H,3-7H2,1-2H3;2*7-8,11H,2-6H2,1H3;3-8H2,1-2H3;7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3,(H,10,11);10H,2-7H2,1H3;2*6-7H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*5-7H,2-4H2,1H3;3-6H2,1-2H3;2-6H2,1H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;1-3H3/t3*8-,9-;2*7-,8-;;;;;;;;2*6-,7-;;2*5-,6-;;;;;/m11010.......10.10...../s1.
What are the key properties of tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone?
tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 2974.49 g/mol, XLogP of 5.94, 18 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;bis(3,3-difluoro-1,5-dimethylpiperidine);(1R,4R)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;4-ethylmorpholine;4-fluoro-1,4-dimethylpiperidine;(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-(2-methoxyethyl)-4-methylpiperazine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 165012030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).