N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine

C55H58F8N10O — CID 144749720

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
SMILESCN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.CN1CCN(c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C(F)(F)F)CC3)c3ccccc23)CC1
InChIInChI=1S/C28H26F4N4O.C27H32F4N6/c1-35(18-19-11-12-20(29)17-25(19)28(30,31)32)21-13-15-36(16-14-21)26-23-9-5-6-10-24(23)27(34-33-26)37-22-7-3-2-4-8-22;1-34-13-15-37(16-14-34)26-23-6-4-3-5-22(23)25(32-33-26)36-11-9-21(10-12-36)35(2)18-19-7-8-20(28)17-24(19)27(29,30)31/h2-12,17,21H,13-16,18H2,1H3;3-8,17,21H,9-16,18H2,1-2H3
InChIKeyXJZMJRXSMYUJCF-UHFFFAOYSA-N
MW1027.12 g/mol
LogP11.32
Rot. Bonds11

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine (PubChem CID 144749720) has the molecular formula C55H58F8N10O and a molecular weight of 1027.12 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
PubChem CID144749720
Molecular FormulaC55H58F8N10O
Molecular Weight1027.12 g/mol
Exact Mass1026.47
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
SMILESCN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.CN1CCN(c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C(F)(F)F)CC3)c3ccccc23)CC1
InChIInChI=1S/C28H26F4N4O.C27H32F4N6/c1-35(18-19-11-12-20(29)17-25(19)28(30,31)32)21-13-15-36(16-14-21)26-23-9-5-6-10-24(23)27(34-33-26)37-22-7-3-2-4-8-22;1-34-13-15-37(16-14-34)26-23-6-4-3-5-22(23)25(32-33-26)36-11-9-21(10-12-36)35(2)18-19-7-8-20(28)17-24(19)27(29,30)31/h2-12,17,21H,13-16,18H2,1H3;3-8,17,21H,9-16,18H2,1-2H3
InChIKeyXJZMJRXSMYUJCF-UHFFFAOYSA-N
XLogP11.32
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.12
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine with MolForge

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
CID 117727261
N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
CID 121298874
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(4-methoxyphthalazin-1-yl)-N-methylpiperidin-4-amine
CID 121299633
N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine
CID 160970809

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine (CID 144749720) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine is CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.CN1CCN(c2nnc(N3CCC(N(C)Cc4ccc(F)cc4C(F)(F)F)CC3)c3ccccc23)CC1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine?
The InChIKey is XJZMJRXSMYUJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O.C27H32F4N6/c1-35(18-19-11-12-20(29)17-25(19)28(30,31)32)21-13-15-36(16-14-21)26-23-9-5-6-10-24(23)27(34-33-26)37-22-7-3-2-4-8-22;1-34-13-15-37(16-14-34)26-23-6-4-3-5-22(23)25(32-33-26)36-11-9-21(10-12-36)35(2)18-19-7-8-20(28)17-24(19)27(29,30)31/h2-12,17,21H,13-16,18H2,1H3;3-8,17,21H,9-16,18H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine has a molecular weight of 1027.12 g/mol, XLogP of 11.32, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine is sourced from PubChem (CID 144749720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).