bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine

C77H162F5N11O3 — CID 158695018

IUPACbis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine
SMILESC.CC(F)C1CN(C)C1.CC1CCCC(C)N1C.CC1CCCCN1C.CC1CCCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CC1N(C)CCOC1(C)C.CN1CCC(C)(F)C1.CN1CCCC(C(F)(F)F)C1.COC1CCN(C)CC1
InChIInChI=1S/C8H17NO.C8H17N.C7H12F3N.2C7H15NO.3C7H15N.2C6H12FN.C6H13N.CH4/c1-7-8(2,3)10-6-5-9(7)4;1-7-5-4-6-8(2)9(7)3;1-11-4-2-3-6(5-11)7(8,9)10;1-6-4-8(3)5-7(2)9-6;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;2*1-7-5-3-4-6-8(7)2;1-5(7)6-3-8(2)4-6;1-6(7)3-4-8(2)5-6;1-6-3-4-7(2)5-6;/h7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;6H,2-5H2,1H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4
InChIKeyIGVCCPLTUFYXIN-UHFFFAOYSA-N
MW1385.21 g/mol
LogP14.22
Rot. Bonds2

About bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine

bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine (PubChem CID 158695018) has the molecular formula C77H162F5N11O3 and a molecular weight of 1385.21 g/mol. Its IUPAC name is bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine.

Molecular Properties

Compound Namebis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine
PubChem CID158695018
Molecular FormulaC77H162F5N11O3
Molecular Weight1385.21 g/mol
Exact Mass1384.28
IUPAC Namebis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine
SMILESC.CC(F)C1CN(C)C1.CC1CCCC(C)N1C.CC1CCCCN1C.CC1CCCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CC1N(C)CCOC1(C)C.CN1CCC(C)(F)C1.CN1CCCC(C(F)(F)F)C1.COC1CCN(C)CC1
InChIInChI=1S/C8H17NO.C8H17N.C7H12F3N.2C7H15NO.3C7H15N.2C6H12FN.C6H13N.CH4/c1-7-8(2,3)10-6-5-9(7)4;1-7-5-4-6-8(2)9(7)3;1-11-4-2-3-6(5-11)7(8,9)10;1-6-4-8(3)5-7(2)9-6;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;2*1-7-5-3-4-6-8(7)2;1-5(7)6-3-8(2)4-6;1-6(7)3-4-8(2)5-6;1-6-3-4-7(2)5-6;/h7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;6H,2-5H2,1H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4
InChIKeyIGVCCPLTUFYXIN-UHFFFAOYSA-N
XLogP14.22
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.21
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine?
The IUPAC name of bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine (CID 158695018) is bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine.
What is the SMILES notation for bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine?
The canonical SMILES for bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine is C.CC(F)C1CN(C)C1.CC1CCCC(C)N1C.CC1CCCCN1C.CC1CCCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)CC(C)O1.CC1N(C)CCOC1(C)C.CN1CCC(C)(F)C1.CN1CCCC(C(F)(F)F)C1.COC1CCN(C)CC1.
What is the InChIKey of bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine?
The InChIKey is IGVCCPLTUFYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C8H17N.C7H12F3N.2C7H15NO.3C7H15N.2C6H12FN.C6H13N.CH4/c1-7-8(2,3)10-6-5-9(7)4;1-7-5-4-6-8(2)9(7)3;1-11-4-2-3-6(5-11)7(8,9)10;1-6-4-8(3)5-7(2)9-6;1-8-5-3-7(9-2)4-6-8;1-7-3-5-8(2)6-4-7;2*1-7-5-3-4-6-8(7)2;1-5(7)6-3-8(2)4-6;1-6(7)3-4-8(2)5-6;1-6-3-4-7(2)5-6;/h7H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;6H,2-5H2,1H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,3-5H2,1-2H3;1H4.
What are the key properties of bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine?
bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine has a molecular weight of 1385.21 g/mol, XLogP of 14.22, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylpiperidine);1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;3-fluoro-1,3-dimethylpyrrolidine;3-(1-fluoroethyl)-1-methylazetidine;methane;4-methoxy-1-methylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;2,2,3,4-tetramethylmorpholine;2,4,6-trimethylmorpholine;1,2,6-trimethylpiperidine is sourced from PubChem (CID 158695018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).