1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one

C126H169ClF14N12O10 — CID 160584904

IUPAC1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.CC(C)CCC(=O)N1CCN(c2ccccc2)CC1.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(c2ccccc2O)CC1.CC(F)(F)CCC(=O)N1CCN(Cc2ccccc2)CC1.O=C(CCC(F)(F)F)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H23F2NO.C16H23ClN2O.C16H22F2N2O.2C16H21F2NO2.C16H24N2O.C15H18F3NO.C14H17F3N2O/c1-17(18,19)10-7-16(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14;1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15;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;1-16(17,18)9-6-15(21)19-10-7-12(8-11-19)13-4-2-3-5-14(13)20;1-14(2)8-9-16(19)18-12-10-17(11-13-18)15-6-4-3-5-7-15;1-15(17,18)8-6-14(20)19-9-7-12(10-19)11-2-4-13(16)5-3-11;15-14(16,17)6-1-13(20)19-9-4-12(5-10-19)11-2-7-18-8-3-11/h2-6,15H,7-13H2,1H3;4-7,13H,3,8-12H2,1-2H3;2-6H,7-13H2,1H3;2-5,13,20H,6-11H2,1H3;2-5,12,20H,6-11H2,1H3;3-7,14H,8-13H2,1-2H3;2-5,12H,6-10H2,1H3;2-3,7-8,12H,1,4-6,9-10H2
InChIKeyRCGPYKVUSNMKEC-UHFFFAOYSA-N
MW2313.24 g/mol
LogP26.64
Rot. Bonds33

About 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one

1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one (PubChem CID 160584904) has the molecular formula C126H169ClF14N12O10 and a molecular weight of 2313.24 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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
PubChem CID160584904
Molecular FormulaC126H169ClF14N12O10
Molecular Weight2313.24 g/mol
Exact Mass2311.25
IUPAC Name1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.CC(C)CCC(=O)N1CCN(c2ccccc2)CC1.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(c2ccccc2O)CC1.CC(F)(F)CCC(=O)N1CCN(Cc2ccccc2)CC1.O=C(CCC(F)(F)F)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H23F2NO.C16H23ClN2O.C16H22F2N2O.2C16H21F2NO2.C16H24N2O.C15H18F3NO.C14H17F3N2O/c1-17(18,19)10-7-16(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14;1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15;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;1-16(17,18)9-6-15(21)19-10-7-12(8-11-19)13-4-2-3-5-14(13)20;1-14(2)8-9-16(19)18-12-10-17(11-13-18)15-6-4-3-5-7-15;1-15(17,18)8-6-14(20)19-9-7-12(10-19)11-2-4-13(16)5-3-11;15-14(16,17)6-1-13(20)19-9-4-12(5-10-19)11-2-7-18-8-3-11/h2-6,15H,7-13H2,1H3;4-7,13H,3,8-12H2,1-2H3;2-6H,7-13H2,1H3;2-5,13,20H,6-11H2,1H3;2-5,12,20H,6-11H2,1H3;3-7,14H,8-13H2,1-2H3;2-5,12H,6-10H2,1H3;2-3,7-8,12H,1,4-6,9-10H2
InChIKeyRCGPYKVUSNMKEC-UHFFFAOYSA-N
XLogP26.64
TPSA225.55 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002313.24
LogP ≤ 526.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one with MolForge

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Related Compounds

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
1-(4-Benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-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-(4-fluorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 158812223

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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one (CID 160584904) is 1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one is CC(C)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.CC(C)CCC(=O)N1CCN(c2ccccc2)CC1.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(c2ccccc2O)CC1.CC(F)(F)CCC(=O)N1CCN(Cc2ccccc2)CC1.O=C(CCC(F)(F)F)N1CCC(c2ccncc2)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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The InChIKey is RCGPYKVUSNMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO.C16H23ClN2O.C16H22F2N2O.2C16H21F2NO2.C16H24N2O.C15H18F3NO.C14H17F3N2O/c1-17(18,19)10-7-16(21)20-11-8-15(9-12-20)13-14-5-3-2-4-6-14;1-13(2)3-8-16(20)19-11-9-18(10-12-19)15-6-4-14(17)5-7-15;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;1-16(17,18)9-6-15(21)19-10-7-12(8-11-19)13-4-2-3-5-14(13)20;1-14(2)8-9-16(19)18-12-10-17(11-13-18)15-6-4-3-5-7-15;1-15(17,18)8-6-14(20)19-9-7-12(10-19)11-2-4-13(16)5-3-11;15-14(16,17)6-1-13(20)19-9-4-12(5-10-19)11-2-7-18-8-3-11/h2-6,15H,7-13H2,1H3;4-7,13H,3,8-12H2,1-2H3;2-6H,7-13H2,1H3;2-5,13,20H,6-11H2,1H3;2-5,12,20H,6-11H2,1H3;3-7,14H,8-13H2,1-2H3;2-5,12H,6-10H2,1H3;2-3,7-8,12H,1,4-6,9-10H2.
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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
1-(4-benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one has a molecular weight of 2313.24 g/mol, XLogP of 26.64, 33 rotatable bonds, 2 hydrogen bond donors, and 14 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;1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(2-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4-methyl-1-(4-phenylpiperazin-1-yl)pentan-1-one;4,4,4-trifluoro-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 160584904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).