(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone

C105H196F6N24O9 — CID 158462819

IUPAC(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(O)CC2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCCC2)CC1.CC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H27N3O.2C13H23F2N3O.2C13H24FN3O.C13H25N3O2.2C13H25N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16;1-11(2)16-7-9-18(10-8-16)12(19)17-5-3-13(14,15)4-6-17;1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18;1-11(2)15-7-9-17(10-8-15)13(18)16-5-3-12(14)4-6-16;1-11(2)15-6-8-16(9-7-15)13(18)17-5-3-4-12(14)10-17;1-11(2)14-7-9-16(10-8-14)13(18)15-5-3-12(17)4-6-15;1-11(2)15-7-9-16(10-8-15)13(17)12-3-5-14-6-4-12;1-12(2)14-8-10-16(11-9-14)13(17)15-6-4-3-5-7-15/h12-13H,4-11H2,1-3H3;2*11H,3-10H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12,17H,3-10H2,1-2H3;11-12,14H,3-10H2,1-2H3;12H,3-11H2,1-2H3
InChIKeyHFJUTVNGCYRHQX-UHFFFAOYSA-N
MW2052.87 g/mol
LogP11.47
Rot. Bonds9

About (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone

(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 158462819) has the molecular formula C105H196F6N24O9 and a molecular weight of 2052.87 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID158462819
Molecular FormulaC105H196F6N24O9
Molecular Weight2052.87 g/mol
Exact Mass2051.55
IUPAC Name(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(O)CC2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCCC2)CC1.CC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H27N3O.2C13H23F2N3O.2C13H24FN3O.C13H25N3O2.2C13H25N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16;1-11(2)16-7-9-18(10-8-16)12(19)17-5-3-13(14,15)4-6-17;1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18;1-11(2)15-7-9-17(10-8-15)13(18)16-5-3-12(14)4-6-16;1-11(2)15-6-8-16(9-7-15)13(18)17-5-3-4-12(14)10-17;1-11(2)14-7-9-16(10-8-14)13(18)15-5-3-12(17)4-6-15;1-11(2)15-7-9-16(10-8-15)13(17)12-3-5-14-6-4-12;1-12(2)14-8-10-16(11-9-14)13(17)15-6-4-3-5-7-15/h12-13H,4-11H2,1-3H3;2*11H,3-10H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12,17H,3-10H2,1-2H3;11-12,14H,3-10H2,1-2H3;12H,3-11H2,1-2H3
InChIKeyHFJUTVNGCYRHQX-UHFFFAOYSA-N
XLogP11.47
TPSA243.34 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.87
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone (CID 158462819) is (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(F)CC2)CC1.CC(C)N1CCN(C(=O)N2CCC(O)CC2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCC(F)C2)CC1.CC(C)N1CCN(C(=O)N2CCCCC2)CC1.CC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is HFJUTVNGCYRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2C13H23F2N3O.2C13H24FN3O.C13H25N3O2.2C13H25N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16;1-11(2)16-7-9-18(10-8-16)12(19)17-5-3-13(14,15)4-6-17;1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18;1-11(2)15-7-9-17(10-8-15)13(18)16-5-3-12(14)4-6-16;1-11(2)15-6-8-16(9-7-15)13(18)17-5-3-4-12(14)10-17;1-11(2)14-7-9-16(10-8-14)13(18)15-5-3-12(17)4-6-15;1-11(2)15-7-9-16(10-8-15)13(17)12-3-5-14-6-4-12;1-12(2)14-8-10-16(11-9-14)13(17)15-6-4-3-5-7-15/h12-13H,4-11H2,1-3H3;2*11H,3-10H2,1-2H3;2*11-12H,3-10H2,1-2H3;11-12,17H,3-10H2,1-2H3;11-12,14H,3-10H2,1-2H3;12H,3-11H2,1-2H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 2052.87 g/mol, XLogP of 11.47, 9 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-fluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-hydroxypiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-1-yl-(4-propan-2-ylpiperazin-1-yl)methanone;piperidin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 158462819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).