1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate

C103H122BrCl4F2N11O7 — CID 162203333

IUPAC1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate
SMILESCOC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.Fc1ccc(N2CCNCC2)nc1.NC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C30H34ClFN4O.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C9H12FN3/c1-21-17-22(2)26(30(37)36-15-13-35(14-16-36)29-8-7-25(32)20-33-29)19-24(21)18-23-9-11-34(12-10-23)28-6-4-3-5-27(28)31;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;10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h3-8,17,19-20,23H,9-16,18H2,1-2H3;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;1-2,7,11H,3-6H2
InChIKeyZRWFXBPGNVMHPF-UHFFFAOYSA-N
MW1885.89 g/mol
LogP21.98
Rot. Bonds16

About 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate

1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate (PubChem CID 162203333) has the molecular formula C103H122BrCl4F2N11O7 and a molecular weight of 1885.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate.

Molecular Properties

Compound Name1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate
PubChem CID162203333
Molecular FormulaC103H122BrCl4F2N11O7
Molecular Weight1885.89 g/mol
Exact Mass1881.74
IUPAC Name1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate
SMILESCOC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.Fc1ccc(N2CCNCC2)nc1.NC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C30H34ClFN4O.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C9H12FN3/c1-21-17-22(2)26(30(37)36-15-13-35(14-16-36)29-8-7-25(32)20-33-29)19-24(21)18-23-9-11-34(12-10-23)28-6-4-3-5-27(28)31;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;10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h3-8,17,19-20,23H,9-16,18H2,1-2H3;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;1-2,7,11H,3-6H2
InChIKeyZRWFXBPGNVMHPF-UHFFFAOYSA-N
XLogP21.98
TPSA193.48 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.89
LogP ≤ 521.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate?
The IUPAC name of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate (CID 162203333) is 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate.
What is the SMILES notation for 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate?
The canonical SMILES for 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate is COC(=O)c1cc(Br)c(C)cc1C.COC(=O)c1cc(CC2CCN(c3ccccc3Cl)CC2)c(C)cc1C.Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CC1CCN(c2ccccc2Cl)CC1.Cc1cc(C)c(C(=O)O)cc1CC1CCN(c2ccccc2Cl)CC1.Fc1ccc(N2CCNCC2)nc1.NC1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate?
The InChIKey is ZRWFXBPGNVMHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN4O.C22H26ClNO2.C21H24ClNO2.C11H15ClN2.C10H11BrO2.C9H12FN3/c1-21-17-22(2)26(30(37)36-15-13-35(14-16-36)29-8-7-25(32)20-33-29)19-24(21)18-23-9-11-34(12-10-23)28-6-4-3-5-27(28)31;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;10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h3-8,17,19-20,23H,9-16,18H2,1-2H3;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;1-2,7,11H,3-6H2.
What are the key properties of 1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate?
1-(2-chlorophenyl)piperidin-4-amine;5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoic acid;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate has a molecular weight of 1885.89 g/mol, XLogP of 21.98, 16 rotatable bonds, 3 hydrogen bond donors, and 16 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;[5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylphenyl]-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone;1-(5-fluoro-2-pyridinyl)piperazine;methyl 5-bromo-2,4-dimethylbenzoate;methyl 5-[[1-(2-chlorophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoate is sourced from PubChem (CID 162203333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).