lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide

C96H112F5LiN16O14 — CID 159047725

IUPAClithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide
SMILESCO.COC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.COC(=O)c1cccc(C(=O)O)n1.Fc1ccc(CN2CCNCC2)cc1.O=C(O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)n1)N1CCN(Cc2ccc(F)cc2)CC1.[2H]CF.[Li+].[OH-].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H30FN5O2.C19H20FN3O3.C18H18FN3O3.C11H15FN2.C10H14N2.C8H7NO4.CH3F.CH4O.Li.H2O/c29-23-11-9-22(10-12-23)21-31-13-15-33(16-14-31)27(35)25-7-4-8-26(30-25)28(36)34-19-17-32(18-20-34)24-5-2-1-3-6-24;1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14;19-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)17(23)15-2-1-3-16(20-15)18(24)25;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-13-8(12)6-4-2-3-5(9-6)7(10)11;2*1-2;;/h1-12H,13-21H2;2-8H,9-13H2,1H3;1-7H,8-12H2,(H,24,25);1-4,13H,5-9H2;1-5,11H,6-9H2;2-4H,1H3,(H,10,11);1H3;2H,1H3;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;
InChIKeyJWWDARLKJDVQJK-WPEJIVRLSA-M
MW1816.99 g/mol
LogP6.90
Rot. Bonds18

About lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide

lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide (PubChem CID 159047725) has the molecular formula C96H112F5LiN16O14 and a molecular weight of 1816.99 g/mol. Its IUPAC name is lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide.

Molecular Properties

Compound Namelithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide
PubChem CID159047725
Molecular FormulaC96H112F5LiN16O14
Molecular Weight1816.99 g/mol
Exact Mass1815.87
IUPAC Namelithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide
SMILESCO.COC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.COC(=O)c1cccc(C(=O)O)n1.Fc1ccc(CN2CCNCC2)cc1.O=C(O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)n1)N1CCN(Cc2ccc(F)cc2)CC1.[2H]CF.[Li+].[OH-].c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H30FN5O2.C19H20FN3O3.C18H18FN3O3.C11H15FN2.C10H14N2.C8H7NO4.CH3F.CH4O.Li.H2O/c29-23-11-9-22(10-12-23)21-31-13-15-33(16-14-31)27(35)25-7-4-8-26(30-25)28(36)34-19-17-32(18-20-34)24-5-2-1-3-6-24;1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14;19-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)17(23)15-2-1-3-16(20-15)18(24)25;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-13-8(12)6-4-2-3-5(9-6)7(10)11;2*1-2;;/h1-12H,13-21H2;2-8H,9-13H2,1H3;1-7H,8-12H2,(H,24,25);1-4,13H,5-9H2;1-5,11H,6-9H2;2-4H,1H3,(H,10,11);1H3;2H,1H3;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;
InChIKeyJWWDARLKJDVQJK-WPEJIVRLSA-M
XLogP6.90
TPSA353.73 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.99
LogP ≤ 56.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide with MolForge

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Related Compounds

methyl 6-(4-benzyl-1,4-diazepane-1-carbonyl)pyridine-2-carboxylate
CID 51122068
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46492227
methyl 5-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-1-phenylpyrazole-3-carboxylate
CID 86887802
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780

Frequently Asked Questions

What is the IUPAC name of lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide?
The IUPAC name of lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide (CID 159047725) is lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide.
What is the SMILES notation for lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide?
The canonical SMILES for lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide is CO.COC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.COC(=O)c1cccc(C(=O)O)n1.Fc1ccc(CN2CCNCC2)cc1.O=C(O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)n1)N1CCN(Cc2ccc(F)cc2)CC1.[2H]CF.[Li+].[OH-].c1ccc(N2CCNCC2)cc1.
What is the InChIKey of lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide?
The InChIKey is JWWDARLKJDVQJK-WPEJIVRLSA-M. The full InChI is InChI=1S/C28H30FN5O2.C19H20FN3O3.C18H18FN3O3.C11H15FN2.C10H14N2.C8H7NO4.CH3F.CH4O.Li.H2O/c29-23-11-9-22(10-12-23)21-31-13-15-33(16-14-31)27(35)25-7-4-8-26(30-25)28(36)34-19-17-32(18-20-34)24-5-2-1-3-6-24;1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14;19-14-6-4-13(5-7-14)12-21-8-10-22(11-9-21)17(23)15-2-1-3-16(20-15)18(24)25;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-13-8(12)6-4-2-3-5(9-6)7(10)11;2*1-2;;/h1-12H,13-21H2;2-8H,9-13H2,1H3;1-7H,8-12H2,(H,24,25);1-4,13H,5-9H2;1-5,11H,6-9H2;2-4H,1H3,(H,10,11);1H3;2H,1H3;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;.
What are the key properties of lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide?
lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide has a molecular weight of 1816.99 g/mol, XLogP of 6.90, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine;6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[6-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]methanone;methanol;6-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate;1-phenylpiperazine;hydroxide is sourced from PubChem (CID 159047725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).