1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one

C146H203Cl3F19N11O8 — CID 159850262

About 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one

1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one (PubChem CID 159850262) has the molecular formula C146H203Cl3F19N11O8 and a molecular weight of 2707.62 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one
• PubChem CID: 159850262
• Molecular Formula: C146H203Cl3F19N11O8
• Molecular Weight: 2707.62 g/mol
• Exact Mass: 2704.46
• IUPAC Name: 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one
• SMILES: C=C(C(C)C)[C@@H](CC1CC[C@@H](N)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)c(F)c1.C=C(C(C)C)[C@H](CN1CC[C@@H](N)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC(C)C)c1cc(F)cc(F)c1.CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(OC(F)(F)F)c(F)c1.CC(C)C(=O)[C@H](CN1CCC(N(C)C)CC1)c1ccc(OC(F)(F)F)c(F)c1.CC(C)C(=O)[C@H](CN1CCCCC1)c1ccc(OC(F)(F)F)c(F)c1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1
• InChI: InChI=1S/C20H30ClFN2.C20H28F4N2O2.C19H25F4NO2.C18H26ClN.2C18H23F4NO2.C17H25ClN2.C16H23F2N/c1-14(2)16(5)18(17-6-7-19(21)20(22)12-17)13-23-8-10-24(11-9-23)15(3)4;1-13(2)19(27)16(12-26-9-7-15(8-10-26)25(3)4)14-5-6-18(17(21)11-14)28-20(22,23)24;1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-17(16(20)10-14)26-19(21,22)23;1-12(2)13(3)18(11-14-4-9-17(20)10-14)15-5-7-16(19)8-6-15;2*1-12(2)17(24)14(11-23-8-4-3-5-9-23)13-6-7-16(15(19)10-13)25-18(20,21)22;1-12(2)13(3)17(11-20-9-8-16(19)10-20)14-4-6-15(18)7-5-14;1-10(2)12(5)16(9-19-11(3)4)13-6-14(17)8-15(18)7-13/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3;5-6,11,13,15-16H,7-10,12H2,1-4H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;5-8,12,14,17-18H,3-4,9-11,20H2,1-2H3;2*6-7,10,12,14H,3-5,8-9,11H2,1-2H3;4-7,12,16-17H,3,8-11,19H2,1-2H3;6-8,10-11,16,19H,5,9H2,1-4H3/t18-;16-;15-;14?,17-,18-;2*14-;16-,17+;16-/m01011010/s1
• InChIKey: NPVMERZEXXCWIG-HKZKVGRLSA-N
• XLogP: 35.74
• TPSA: 195.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 47
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.62
LogP ≤ 5	35.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one?

The IUPAC name of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one (CID 159850262) is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one.

What is the SMILES notation for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one?

The canonical SMILES for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one is C=C(C(C)C)[C@@H](CC1CC[C@@H](N)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Cl)c(F)c1.C=C(C(C)C)[C@H](CN1CC[C@@H](N)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC(C)C)c1cc(F)cc(F)c1.CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(OC(F)(F)F)c(F)c1.CC(C)C(=O)[C@H](CN1CCC(N(C)C)CC1)c1ccc(OC(F)(F)F)c(F)c1.CC(C)C(=O)[C@H](CN1CCCCC1)c1ccc(OC(F)(F)F)c(F)c1.CC1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.

What is the InChIKey of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one?

The InChIKey is NPVMERZEXXCWIG-HKZKVGRLSA-N. The full InChI is InChI=1S/C20H30ClFN2.C20H28F4N2O2.C19H25F4NO2.C18H26ClN.2C18H23F4NO2.C17H25ClN2.C16H23F2N/c1-14(2)16(5)18(17-6-7-19(21)20(22)12-17)13-23-8-10-24(11-9-23)15(3)4;1-13(2)19(27)16(12-26-9-7-15(8-10-26)25(3)4)14-5-6-18(17(21)11-14)28-20(22,23)24;1-12(2)18(25)15(11-24-8-6-13(3)7-9-24)14-4-5-17(16(20)10-14)26-19(21,22)23;1-12(2)13(3)18(11-14-4-9-17(20)10-14)15-5-7-16(19)8-6-15;2*1-12(2)17(24)14(11-23-8-4-3-5-9-23)13-6-7-16(15(19)10-13)25-18(20,21)22;1-12(2)13(3)17(11-20-9-8-16(19)10-20)14-4-6-15(18)7-5-14;1-10(2)12(5)16(9-19-11(3)4)13-6-14(17)8-15(18)7-13/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3;5-6,11,13,15-16H,7-10,12H2,1-4H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;5-8,12,14,17-18H,3-4,9-11,20H2,1-2H3;2*6-7,10,12,14H,3-5,8-9,11H2,1-2H3;4-7,12,16-17H,3,8-11,19H2,1-2H3;6-8,10-11,16,19H,5,9H2,1-4H3/t18-;16-;15-;14?,17-,18-;2*14-;16-,17+;16-/m01011010/s1.

What are the key properties of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one?

1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one has a molecular weight of 2707.62 g/mol, XLogP of 35.74, 47 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one is sourced from PubChem (CID 159850262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).