2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine

C82H89Cl3F6N8O12 — CID 160743416

IUPAC2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine
SMILESO=C(CCl)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.c1ccc(Oc2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C32H34F3N3O5.C18H19ClN2O2.C17H19NO.C13H15F3N2O3.C2H2Cl2O/c33-32(34,35)29-20-25(10-15-30(29)38(40)41)36-24-8-13-26(14-9-24)42-21-31(39)37-18-16-23(17-19-37)22-6-11-28(12-7-22)43-27-4-2-1-3-5-27;19-14-18(22)21-12-10-20(11-13-21)15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;3-1-2(4)5/h1-7,10-12,15,20,23-24,26,36H,8-9,13-14,16-19,21H2;1-9H,10-14H2;1-9,15,18H,10-13H2;3,6-8,10,17,19H,1-2,4-5H2;1H2
InChIKeyRVWQQZSLIZDKJA-UHFFFAOYSA-N
MW1599.00 g/mol
LogP19.18
Rot. Bonds20

About 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine

2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine (PubChem CID 160743416) has the molecular formula C82H89Cl3F6N8O12 and a molecular weight of 1599.00 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine
PubChem CID160743416
Molecular FormulaC82H89Cl3F6N8O12
Molecular Weight1599.00 g/mol
Exact Mass1596.56
IUPAC Name2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine
SMILESO=C(CCl)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.c1ccc(Oc2ccc(C3CCNCC3)cc2)cc1
InChIInChI=1S/C32H34F3N3O5.C18H19ClN2O2.C17H19NO.C13H15F3N2O3.C2H2Cl2O/c33-32(34,35)29-20-25(10-15-30(29)38(40)41)36-24-8-13-26(14-9-24)42-21-31(39)37-18-16-23(17-19-37)22-6-11-28(12-7-22)43-27-4-2-1-3-5-27;19-14-18(22)21-12-10-20(11-13-21)15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;3-1-2(4)5/h1-7,10-12,15,20,23-24,26,36H,8-9,13-14,16-19,21H2;1-9H,10-14H2;1-9,15,18H,10-13H2;3,6-8,10,17,19H,1-2,4-5H2;1H2
InChIKeyRVWQQZSLIZDKJA-UHFFFAOYSA-N
XLogP19.18
TPSA240.45 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.00
LogP ≤ 519.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine with MolForge

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Related Compounds

2-[4-[4-Nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 44193826
2-[trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyloxy]-1-{4-[4-(4-trifluoromethyl-benzyloxy)-phenyl]-piperazin-1-yl}-ethanone
CID 44193930
2-[trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyloxy]-1-[4-(4-phenoxy-phenyl)-piperidin-1-yl]-ethanone
CID 44194130
2-[4-[4-Nitroso-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone
CID 88983972
2-Chloro-1-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 123461121
2-Chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 157268284
2-Chloro-1-[4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 157684806
2-Chloro-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]ethanone
CID 158136214
2-Chloroacetyl chloride;2-chloro-1-[4-(2,4-difluorophenyl)piperidin-1-yl]ethanone;4-(2,4-difluorophenyl)piperidine;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 159598766
2-Chloroacetyl chloride;2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-methoxyphenyl)piperazine;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 160650410
2-Chloroacetyl chloride;2-chloro-1-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]ethanone;1-[4-[(4-methylphenyl)methoxy]phenyl]piperazine;1-[4-[4-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 161928052

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine?
The IUPAC name of 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine (CID 160743416) is 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine.
What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine?
The canonical SMILES for 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine is O=C(CCl)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.c1ccc(Oc2ccc(C3CCNCC3)cc2)cc1.
What is the InChIKey of 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine?
The InChIKey is RVWQQZSLIZDKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O5.C18H19ClN2O2.C17H19NO.C13H15F3N2O3.C2H2Cl2O/c33-32(34,35)29-20-25(10-15-30(29)38(40)41)36-24-8-13-26(14-9-24)42-21-31(39)37-18-16-23(17-19-37)22-6-11-28(12-7-22)43-27-4-2-1-3-5-27;19-14-18(22)21-12-10-20(11-13-21)15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;3-1-2(4)5/h1-7,10-12,15,20,23-24,26,36H,8-9,13-14,16-19,21H2;1-9H,10-14H2;1-9,15,18H,10-13H2;3,6-8,10,17,19H,1-2,4-5H2;1H2.
What are the key properties of 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine?
2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine has a molecular weight of 1599.00 g/mol, XLogP of 19.18, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine is sourced from PubChem (CID 160743416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).