1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide

C105H128BrCl4N11O11S2 — CID 159241566

IUPAC1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide
SMILESCOC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3cccc(S(N)(=O)=O)c3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.NC1CCN(c2ccccc2Cl)CC1.NS(=O)(=O)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C31H37ClN4O3S.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C10H15N3O2S/c1-22-18-23(2)28(20-25(22)19-24-10-12-35(13-11-24)30-9-4-3-8-29(30)32)31(37)36-16-14-34(15-17-36)26-6-5-7-27(21-26)40(33,38)39;1-15-12-16(2)19(22(25)26-3)14-18(15)13-17-8-10-24(11-9-17)21-7-5-4-6-20(21)23;1-14-11-15(2)18(21(24)25)13-17(14)12-16-7-9-23(10-8-16)20-6-4-3-5-19(20)22;12-10-3-1-2-4-11(10)14-7-5-9(13)6-8-14;1-6-4-7(2)9(11)5-8(6)10(12)13-3;11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13/h3-9,18,20-21,24H,10-17,19H2,1-2H3,(H2,33,38,39);4-7,12,14,17H,8-11,13H2,1-3H3;3-6,11,13,16H,7-10,12H2,1-2H3,(H,24,25);1-4,9H,5-8,13H2;4-5H,1-3H3;1-3,8,12H,4-7H2,(H2,11,14,15)
InChIKeyKUDYAYLSMGRSAL-UHFFFAOYSA-N
MW2006.09 g/mol
LogP20.21
Rot. Bonds18

About 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide

1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide (PubChem CID 159241566) has the molecular formula C105H128BrCl4N11O11S2 and a molecular weight of 2006.09 g/mol. Its IUPAC name is 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide
PubChem CID159241566
Molecular FormulaC105H128BrCl4N11O11S2
Molecular Weight2006.09 g/mol
Exact Mass2001.72
IUPAC Name1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide
SMILESCOC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3cccc(S(N)(=O)=O)c3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.NC1CCN(c2ccccc2Cl)CC1.NS(=O)(=O)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C31H37ClN4O3S.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C10H15N3O2S/c1-22-18-23(2)28(20-25(22)19-24-10-12-35(13-11-24)30-9-4-3-8-29(30)32)31(37)36-16-14-34(15-17-36)26-6-5-7-27(21-26)40(33,38)39;1-15-12-16(2)19(22(25)26-3)14-18(15)13-17-8-10-24(11-9-17)21-7-5-4-6-20(21)23;1-14-11-15(2)18(21(24)25)13-17(14)12-16-7-9-23(10-8-16)20-6-4-3-5-19(20)22;12-10-3-1-2-4-11(10)14-7-5-9(13)6-8-14;1-6-4-7(2)9(11)5-8(6)10(12)13-3;11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13/h3-9,18,20-21,24H,10-17,19H2,1-2H3,(H2,33,38,39);4-7,12,14,17H,8-11,13H2,1-3H3;3-6,11,13,16H,7-10,12H2,1-2H3,(H,24,25);1-4,9H,5-8,13H2;4-5H,1-3H3;1-3,8,12H,4-7H2,(H2,11,14,15)
InChIKeyKUDYAYLSMGRSAL-UHFFFAOYSA-N
XLogP20.21
TPSA288.02 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.09
LogP ≤ 520.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide with MolForge

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Related Compounds

5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid
CID 158693465
2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;1-(2-isocyanophenyl)piperidin-4-amine;2-piperazin-1-ylbenzonitrile
CID 161170240
2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 162015336
lithium;2-(4-amino-3,3-dimethylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;3,3-dimethylpiperidin-4-amine;2-fluorobenzonitrile;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-cyanophenyl)-3,3-dimethylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;2-piperazin-1-ylbenzenesulfonamide;hydroxide;hydrate;dihydrochloride
CID 158046516
2-[4-[5-[[1-(3-methoxyphenyl)piperidin-4-yl]amino]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
CID 134493260
2-[4-[2,4-dimethyl-5-[[1-(3-methylphenyl)piperidin-4-yl]amino]benzoyl]piperazin-1-yl]benzenesulfonamide
CID 134489694
2-[4-[[5-[(3R)-4-(2-cyanophenyl)-3-(hydroxymethyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]methyl]piperidin-1-yl]benzonitrile
CID 158288651
2-[4-[[2,4-dimethyl-5-[4-(2-propanoylphenyl)piperazine-1-carbonyl]phenyl]methyl]piperidin-1-yl]benzonitrile
CID 162042261
2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-(2-methylphenyl)piperazine-1-carbonyl]-2,4-dimethylphenyl]methyl]piperidin-1-yl]benzonitrile
CID 147321004
methyl 2-(4-benzoylpiperazin-1-yl)-5-sulfamoylbenzoate
CID 55534420
tert-butyl N-[(2-fluoro-6-piperazin-1-ylphenyl)-methyl-oxo-λ6-sulfanylidene]carbamate;2-[4-[5-[4-[3-fluoro-2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]piperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile;2-[4-[[5-[4-[3-fluoro-2-(methylsulfonimidoyl)phenyl]piperazine-1-carbonyl]-2,4-dimethylphenyl]methyl]piperidin-1-yl]benzonitrile
CID 158525823
2-(4-amino-3-methylpiperidin-1-yl)benzonitrile;tert-butyl 4-amino-3-methylpiperidine-1-carboxylate;tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate;5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoic acid;2-[4-[5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]amino]-2,4-dimethylbenzoate;3-methylpiperidin-4-amine
CID 159283207

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide (CID 159241566) is 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide is COC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3cccc(S(N)(=O)=O)c3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.NC1CCN(c2ccccc2Cl)CC1.NS(=O)(=O)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is KUDYAYLSMGRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O3S.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C10H15N3O2S/c1-22-18-23(2)28(20-25(22)19-24-10-12-35(13-11-24)30-9-4-3-8-29(30)32)31(37)36-16-14-34(15-17-36)26-6-5-7-27(21-26)40(33,38)39;1-15-12-16(2)19(22(25)26-3)14-18(15)13-17-8-10-24(11-9-17)21-7-5-4-6-20(21)23;1-14-11-15(2)18(21(24)25)13-17(14)12-16-7-9-23(10-8-16)20-6-4-3-5-19(20)22;12-10-3-1-2-4-11(10)14-7-5-9(13)6-8-14;1-6-4-7(2)9(11)5-8(6)10(12)13-3;11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13/h3-9,18,20-21,24H,10-17,19H2,1-2H3,(H2,33,38,39);4-7,12,14,17H,8-11,13H2,1-3H3;3-6,11,13,16H,7-10,12H2,1-2H3,(H,24,25);1-4,9H,5-8,13H2;4-5H,1-3H3;1-3,8,12H,4-7H2,(H2,11,14,15).
What are the key properties of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide?
1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 2006.09 g/mol, XLogP of 20.21, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;3-[4-[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate;3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 159241566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).