(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine

C151H223Cl4F6N11O7 — CID 157482157

About (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine

(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine (PubChem CID 157482157) has the molecular formula C151H223Cl4F6N11O7 and a molecular weight of 2560.31 g/mol. Its IUPAC name is (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine.

Molecular Properties

• Compound Name: (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
• PubChem CID: 157482157
• Molecular Formula: C151H223Cl4F6N11O7
• Molecular Weight: 2560.31 g/mol
• Exact Mass: 2556.61
• IUPAC Name: (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
• SMILES: C=C(C(C)C)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.Cc1ccc([C@@H](CN2CCC(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@@H](CN2CCN(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@H](CN2CCC(C)CC2)C(=O)C(C)C)cc1F
• InChI: InChI=1S/2C19H29ClN2.2C19H28ClNO.C19H26F3NO2.2C19H28FNO.C18H27FN2O/c2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-22-10-14(3)21-15(4)11-22;2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-21-10-14(3)22-15(4)11-21;1-13(2)14(3)18(12-23-16-8-10-24-11-9-16)15-4-6-17(7-5-15)25-19(20,21)22;2*1-13(2)19(22)17(12-21-9-7-14(3)8-10-21)16-6-5-15(4)18(20)11-16;1-13(2)18(22)16(12-21-9-7-20(4)8-10-21)15-6-5-14(3)17(19)11-15/h2*6-9,13-15,19,21H,5,10-12H2,1-4H3;2*6-9,13-15,19H,5,10-12H2,1-4H3;4-7,13,16,18,23H,3,8-12H2,1-2H3;2*5-6,11,13-14,17H,7-10,12H2,1-4H3;5-6,11,13,16H,7-10,12H2,1-4H3/t4*14-,15+,19-;18-;2*17-;16-/m10100101/s1
• InChIKey: BWHAPDXYOXOZQF-SJCCGOMLSA-N
• XLogP: 33.82
• TPSA: 150.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2560.31
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The IUPAC name of (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine (CID 157482157) is (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine.

What is the SMILES notation for (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The canonical SMILES for (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine is C=C(C(C)C)[C@@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)N[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1.Cc1ccc([C@@H](CN2CCC(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@@H](CN2CCN(C)CC2)C(=O)C(C)C)cc1F.Cc1ccc([C@H](CN2CCC(C)CC2)C(=O)C(C)C)cc1F.

What is the InChIKey of (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

The InChIKey is BWHAPDXYOXOZQF-SJCCGOMLSA-N. The full InChI is InChI=1S/2C19H29ClN2.2C19H28ClNO.C19H26F3NO2.2C19H28FNO.C18H27FN2O/c2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-22-10-14(3)21-15(4)11-22;2*1-13(2)16(5)19(17-6-8-18(20)9-7-17)12-21-10-14(3)22-15(4)11-21;1-13(2)14(3)18(12-23-16-8-10-24-11-9-16)15-4-6-17(7-5-15)25-19(20,21)22;2*1-13(2)19(22)17(12-21-9-7-14(3)8-10-21)16-6-5-15(4)18(20)11-16;1-13(2)18(22)16(12-21-9-7-20(4)8-10-21)15-6-5-14(3)17(19)11-15/h2*6-9,13-15,19,21H,5,10-12H2,1-4H3;2*6-9,13-15,19H,5,10-12H2,1-4H3;4-7,13,16,18,23H,3,8-12H2,1-2H3;2*5-6,11,13-14,17H,7-10,12H2,1-4H3;5-6,11,13,16H,7-10,12H2,1-4H3/t4*14-,15+,19-;18-;2*17-;16-/m10100101/s1.

What are the key properties of (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine?

(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine has a molecular weight of 2560.31 g/mol, XLogP of 33.82, 42 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine is sourced from PubChem (CID 157482157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).