3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine

C131H249F4N25O8S — CID 158347596

IUPAC3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine
SMILESCN1CCC(N2CC(C)(C)CCC2=O)CC1.CN1CCC(N2CCC(F)(F)CC2)CC1.CN1CCC(N2CCCC(F)(F)C2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2=O)CC1.CN1CCC(N2CCCC[C@@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCCC[C@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCOCC2)CC1.CN1CCC(N2CCSCC2)CC1.CNC(=O)[C@H]1CCCCN1C1CCN(C)CC1.COC(=O)[C@H]1CCCCN1C1CCN(C)CC1
InChIInChI=1S/2C14H27N3O.C13H25N3O.C13H24N2O2.C13H24N2O.2C11H20F2N2.C11H20N2O.C11H22N2.C10H20N2O.C10H20N2S/c2*1-15(2)14(18)13-6-4-5-9-17(13)12-7-10-16(3)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-9-6-11(7-10-14)15-8-4-3-5-12(15)13(16)17-2;1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11;1-14-6-2-10(3-7-14)15-8-4-11(12,13)5-9-15;1-14-7-3-10(4-8-14)15-6-2-5-11(12,13)9-15;1-12-8-5-10(6-9-12)13-7-3-2-4-11(13)14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;2*1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2*12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3,(H,14,17);11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;2*10H,2-9H2,1H3;10H,2-9H2,1H3;11H,2-10H2,1H3;2*10H,2-9H2,1H3/t2*13-;2*12-;;;;;;;/m1011......./s1
InChIKeyGRXQZNTVBPWYNJ-OESCPMJRSA-N
MW2410.66 g/mol
LogP13.39
Rot. Bonds15

About 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine

3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine (PubChem CID 158347596) has the molecular formula C131H249F4N25O8S and a molecular weight of 2410.66 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine
PubChem CID158347596
Molecular FormulaC131H249F4N25O8S
Molecular Weight2410.66 g/mol
Exact Mass2408.95
IUPAC Name3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine
SMILESCN1CCC(N2CC(C)(C)CCC2=O)CC1.CN1CCC(N2CCC(F)(F)CC2)CC1.CN1CCC(N2CCCC(F)(F)C2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2=O)CC1.CN1CCC(N2CCCC[C@@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCCC[C@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCOCC2)CC1.CN1CCC(N2CCSCC2)CC1.CNC(=O)[C@H]1CCCCN1C1CCN(C)CC1.COC(=O)[C@H]1CCCCN1C1CCN(C)CC1
InChIInChI=1S/2C14H27N3O.C13H25N3O.C13H24N2O2.C13H24N2O.2C11H20F2N2.C11H20N2O.C11H22N2.C10H20N2O.C10H20N2S/c2*1-15(2)14(18)13-6-4-5-9-17(13)12-7-10-16(3)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-9-6-11(7-10-14)15-8-4-3-5-12(15)13(16)17-2;1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11;1-14-6-2-10(3-7-14)15-8-4-11(12,13)5-9-15;1-14-7-3-10(4-8-14)15-6-2-5-11(12,13)9-15;1-12-8-5-10(6-9-12)13-7-3-2-4-11(13)14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;2*1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2*12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3,(H,14,17);11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;2*10H,2-9H2,1H3;10H,2-9H2,1H3;11H,2-10H2,1H3;2*10H,2-9H2,1H3/t2*13-;2*12-;;;;;;;/m1011......./s1
InChIKeyGRXQZNTVBPWYNJ-OESCPMJRSA-N
XLogP13.39
TPSA210.67 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.66
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine?
The IUPAC name of 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine (CID 158347596) is 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine.
What is the SMILES notation for 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine?
The canonical SMILES for 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine is CN1CCC(N2CC(C)(C)CCC2=O)CC1.CN1CCC(N2CCC(F)(F)CC2)CC1.CN1CCC(N2CCCC(F)(F)C2)CC1.CN1CCC(N2CCCCC2)CC1.CN1CCC(N2CCCCC2=O)CC1.CN1CCC(N2CCCC[C@@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCCC[C@H]2C(=O)N(C)C)CC1.CN1CCC(N2CCOCC2)CC1.CN1CCC(N2CCSCC2)CC1.CNC(=O)[C@H]1CCCCN1C1CCN(C)CC1.COC(=O)[C@H]1CCCCN1C1CCN(C)CC1.
What is the InChIKey of 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine?
The InChIKey is GRXQZNTVBPWYNJ-OESCPMJRSA-N. The full InChI is InChI=1S/2C14H27N3O.C13H25N3O.C13H24N2O2.C13H24N2O.2C11H20F2N2.C11H20N2O.C11H22N2.C10H20N2O.C10H20N2S/c2*1-15(2)14(18)13-6-4-5-9-17(13)12-7-10-16(3)11-8-12;1-14-13(17)12-5-3-4-8-16(12)11-6-9-15(2)10-7-11;1-14-9-6-11(7-10-14)15-8-4-3-5-12(15)13(16)17-2;1-13(2)7-4-12(16)15(10-13)11-5-8-14(3)9-6-11;1-14-6-2-10(3-7-14)15-8-4-11(12,13)5-9-15;1-14-7-3-10(4-8-14)15-6-2-5-11(12,13)9-15;1-12-8-5-10(6-9-12)13-7-3-2-4-11(13)14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;2*1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2*12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3,(H,14,17);11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;2*10H,2-9H2,1H3;10H,2-9H2,1H3;11H,2-10H2,1H3;2*10H,2-9H2,1H3/t2*13-;2*12-;;;;;;;/m1011......./s1.
What are the key properties of 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine?
3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine has a molecular weight of 2410.66 g/mol, XLogP of 13.39, 15 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1-methylpiperidin-4-yl)piperidine;4,4-difluoro-1-(1-methylpiperidin-4-yl)piperidine;(2R)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;(2S)-N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one;(2R)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;methyl (2R)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylate;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine;1-(1-methylpiperidin-4-yl)piperidin-2-one;4-(1-methylpiperidin-4-yl)thiomorpholine is sourced from PubChem (CID 158347596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).