1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C79H146F4N8O8 — CID 167632644

IUPAC1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C)CCN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)C(F)C1.CC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F.CC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1.CC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C21H39FN2O2.2C20H37FN2O2.C18H33FN2O2/c1-20(2,3)10-14-23-11-9-18(17(22)15-23)26-16-7-12-24(13-8-16)19(25)21(4,5)6;1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6;1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5;1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h16-18H,7-15H2,1-6H3;15-17H,7-14H2,1-6H3;15-18H,6-14H2,1-5H3;13-17H,5-12H2,1-4H3
InChIKeyOAGANMKGNKSTGC-UHFFFAOYSA-N
MW1412.08 g/mol
LogP13.60
Rot. Bonds17

About 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 167632644) has the molecular formula C79H146F4N8O8 and a molecular weight of 1412.08 g/mol. Its IUPAC name is 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID167632644
Molecular FormulaC79H146F4N8O8
Molecular Weight1412.08 g/mol
Exact Mass1411.12
IUPAC Name1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(C)CCN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)C(F)C1.CC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F.CC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1.CC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C21H39FN2O2.2C20H37FN2O2.C18H33FN2O2/c1-20(2,3)10-14-23-11-9-18(17(22)15-23)26-16-7-12-24(13-8-16)19(25)21(4,5)6;1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6;1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5;1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h16-18H,7-15H2,1-6H3;15-17H,7-14H2,1-6H3;15-18H,6-14H2,1-5H3;13-17H,5-12H2,1-4H3
InChIKeyOAGANMKGNKSTGC-UHFFFAOYSA-N
XLogP13.60
TPSA131.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001412.08
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 167632644) is 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)(C)CCN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)C(F)C1.CC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F.CC(C)C(=O)N1CCC(CCN2CCC(OC(C)(C)C)C(F)C2)CC1.CC(C)OC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F.
What is the InChIKey of 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OAGANMKGNKSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN2O2.2C20H37FN2O2.C18H33FN2O2/c1-20(2,3)10-14-23-11-9-18(17(22)15-23)26-16-7-12-24(13-8-16)19(25)21(4,5)6;1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6;1-15(2)19(24)23-12-7-16(8-13-23)6-10-22-11-9-18(17(21)14-22)25-20(3,4)5;1-13(2)18(22)21-9-5-15(6-10-21)11-20-8-7-17(16(19)12-20)23-14(3)4/h16-18H,7-15H2,1-6H3;15-17H,7-14H2,1-6H3;15-18H,6-14H2,1-5H3;13-17H,5-12H2,1-4H3.
What are the key properties of 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 1412.08 g/mol, XLogP of 13.60, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]oxypiperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(3-fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 167632644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).