1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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

C164H229Cl3F23N15O10 — CID 158874087

IUPAC1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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
SMILESC=C(C(C)C)[C@@H](CN1CC[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.CCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CCN1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H30ClFN2.C20H28F4N2O2.2C19H26F4N2O2.2C18H23F4NO2.2C17H25ClN2.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;2*1-4-24-7-9-25(10-8-24)12-15(18(26)13(2)3)14-5-6-17(16(20)11-14)27-19(21,22)23;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;2*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;2*5-6,11,13,15H,4,7-10,12H2,1-3H3;2*6-7,10,12,14H,3-5,8-9,11H2,1-2H3;2*4-7,12,16-17H,3,8-11,19H2,1-2H3;6-8,10-11,16,19H,5,9H2,1-4H3/t18-;16-;2*15-;2*14-;16-,17+;16-,17-;16-/m011010110/s1
InChIKeyJCFGKRSDOZMWCX-QNWCYKLPSA-N
MW3114.04 g/mol
LogP36.83
Rot. Bonds55

About 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 158874087) has the molecular formula C164H229Cl3F23N15O10 and a molecular weight of 3114.04 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 Name1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 CID158874087
Molecular FormulaC164H229Cl3F23N15O10
Molecular Weight3114.04 g/mol
Exact Mass3110.66
IUPAC Name1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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
SMILESC=C(C(C)C)[C@@H](CN1CC[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.CCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CCN1CCN(C[C@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H30ClFN2.C20H28F4N2O2.2C19H26F4N2O2.2C18H23F4NO2.2C17H25ClN2.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;2*1-4-24-7-9-25(10-8-24)12-15(18(26)13(2)3)14-5-6-17(16(20)11-14)27-19(21,22)23;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;2*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;2*5-6,11,13,15H,4,7-10,12H2,1-3H3;2*6-7,10,12,14H,3-5,8-9,11H2,1-2H3;2*4-7,12,16-17H,3,8-11,19H2,1-2H3;6-8,10-11,16,19H,5,9H2,1-4H3/t18-;16-;2*15-;2*14-;16-,17+;16-,17-;16-/m011010110/s1
InChIKeyJCFGKRSDOZMWCX-QNWCYKLPSA-N
XLogP36.83
TPSA234.45 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds55
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003114.04
LogP ≤ 536.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 158874087) is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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](CN1CC[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.CCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1.CCN1CCN(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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 JCFGKRSDOZMWCX-QNWCYKLPSA-N. The full InChI is InChI=1S/C20H30ClFN2.C20H28F4N2O2.2C19H26F4N2O2.2C18H23F4NO2.2C17H25ClN2.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;2*1-4-24-7-9-25(10-8-24)12-15(18(26)13(2)3)14-5-6-17(16(20)11-14)27-19(21,22)23;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;2*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;2*5-6,11,13,15H,4,7-10,12H2,1-3H3;2*6-7,10,12,14H,3-5,8-9,11H2,1-2H3;2*4-7,12,16-17H,3,8-11,19H2,1-2H3;6-8,10-11,16,19H,5,9H2,1-4H3/t18-;16-;2*15-;2*14-;16-,17+;16-,17-;16-/m011010110/s1.
What are the key properties of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 3114.04 g/mol, XLogP of 36.83, 55 rotatable bonds, 3 hydrogen bond donors, and 25 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;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-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;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-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 158874087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).