1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one

C79H104F11N7O6 — CID 158489696

About 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one

1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one (PubChem CID 158489696) has the molecular formula C79H104F11N7O6 and a molecular weight of 1456.72 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

• Compound Name: 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
• PubChem CID: 158489696
• Molecular Formula: C79H104F11N7O6
• Molecular Weight: 1456.72 g/mol
• Exact Mass: 1455.79
• IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
• SMILES: CC(F)(F)CCC(=O)N1CCC(Cc2ccccc2)CC1.CC(F)(F)CCC(=O)N1CCC(c2ccc(F)cc2)C1.CC(F)(F)CCC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(F)(F)CCC(=O)N1CCC(c2ccncc2)CC1.CC(F)(F)CCC(=O)N1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C17H23F2NO.C16H22F2N2O.C16H21F2NO2.C15H18F3NO.C15H20F2N2O/c1-17(18,19)10-7-16(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14;1-16(17,18)8-7-15(21)20-11-9-19(10-12-20)13-14-5-3-2-4-6-14;1-16(17,18)9-6-15(21)19-10-7-13(8-11-19)12-2-4-14(20)5-3-12;1-15(17,18)8-6-14(20)19-9-7-12(10-19)11-2-4-13(16)5-3-11;1-15(16,17)7-2-14(20)19-10-5-13(6-11-19)12-3-8-18-9-4-12/h2-6,15H,7-13H2,1H3;2-6H,7-13H2,1H3;2-5,13,20H,6-11H2,1H3;2-5,12H,6-10H2,1H3;3-4,8-9,13H,2,5-7,10-11H2,1H3
• InChIKey: HINUJQSCHWHTRO-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 137.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1456.72
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?

The IUPAC name of 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one (CID 158489696) is 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one.

What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?

The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one is CC(F)(F)CCC(=O)N1CCC(Cc2ccccc2)CC1.CC(F)(F)CCC(=O)N1CCC(c2ccc(F)cc2)C1.CC(F)(F)CCC(=O)N1CCC(c2ccc(O)cc2)CC1.CC(F)(F)CCC(=O)N1CCC(c2ccncc2)CC1.CC(F)(F)CCC(=O)N1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?

The InChIKey is HINUJQSCHWHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO.C16H22F2N2O.C16H21F2NO2.C15H18F3NO.C15H20F2N2O/c1-17(18,19)10-7-16(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14;1-16(17,18)8-7-15(21)20-11-9-19(10-12-20)13-14-5-3-2-4-6-14;1-16(17,18)9-6-15(21)19-10-7-13(8-11-19)12-2-4-14(20)5-3-12;1-15(17,18)8-6-14(20)19-9-7-12(10-19)11-2-4-13(16)5-3-11;1-15(16,17)7-2-14(20)19-10-5-13(6-11-19)12-3-8-18-9-4-12/h2-6,15H,7-13H2,1H3;2-6H,7-13H2,1H3;2-5,13,20H,6-11H2,1H3;2-5,12H,6-10H2,1H3;3-4,8-9,13H,2,5-7,10-11H2,1H3.

What are the key properties of 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?

1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 1456.72 g/mol, XLogP of 17.00, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 158489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).