aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine

C183H268Cl2F3N29O11S — CID 161186785

IUPACaziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine
SMILESC1CCNCC1.C1CN1.C1CSCCN1.CC(C)NCC(O)COCCOc1ccccc1.CCCCN1CCNCC1.CNC(C)Cc1ccc(Cl)cc1.C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2.C[C@H](Cc1ccccc1)NCCCc1ccccc1.FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1.O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1.O=C(c1ccco1)N1CCNCC1.O=C1NCN(c2ccccc2)C12CCNCC2.OCC1CCCCN1.OCC1CCNCC1.ON=C1CCNCC1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CCNC2C[C@@H]3CC[C@H]2C3)cc1.c1cncc(CNCc2cccnc2)c1
InChIInChI=1S/C18H23N.C17H20N2.C15H16N2O.C15H21N.C14H23NO3.C14H19NO.C13H17N3O.C12H13N3.C10H11ClF3N3.C10H14ClN.C9H12N2O2.C8H18N2.2C6H13NO.C5H10N2O.C5H11N.C4H9NS.C2H5N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17;1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-12(2)15-10-13(16)11-17-8-9-18-14-6-4-3-5-7-14;1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13;17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12;11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;1-8(12-2)7-9-3-5-10(11)6-4-9;12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2-3-6-10-7-4-9-5-8-10;8-5-6-1-3-7-4-2-6;8-5-6-3-1-2-4-7-6;8-7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-3-1/h2-7,9-12,16,19H,8,13-15H2,1H3;1-10,17-18H,11-14H2;1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1-5,13-16H,6-11H2;3-7,12-13,15-16H,8-11H2,1-2H3;3-4,8-9,13,15-16H,5-7H2,1-2H3;1-5,14H,6-10H2,(H,15,17);1-8,15H,9-10H2;5-6,15H,1-4H2;3-6,8,12H,7H2,1-2H3;1-2,7,10H,3-6H2;9H,2-8H2,1H3;2*6-8H,1-5H2;6,8H,1-4H2;6H,1-5H2;5H,1-4H2;3H,1-2H2/t16-;;14-;13-,14+,15?;;9-,13+,14+;;;;;;;;;;;;/m1.01.1............/s1
InChIKeyUTEMSDASFVAAIC-JWAKGHPUSA-N
MW3210.32 g/mol
LogP24.81
Rot. Bonds40

About aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine

aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine (PubChem CID 161186785) has the molecular formula C183H268Cl2F3N29O11S and a molecular weight of 3210.32 g/mol. Its IUPAC name is aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine.

Molecular Properties

Compound Nameaziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine
PubChem CID161186785
Molecular FormulaC183H268Cl2F3N29O11S
Molecular Weight3210.32 g/mol
Exact Mass3207.04
IUPAC Nameaziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine
SMILESC1CCNCC1.C1CN1.C1CSCCN1.CC(C)NCC(O)COCCOc1ccccc1.CCCCN1CCNCC1.CNC(C)Cc1ccc(Cl)cc1.C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2.C[C@H](Cc1ccccc1)NCCCc1ccccc1.FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1.O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1.O=C(c1ccco1)N1CCNCC1.O=C1NCN(c2ccccc2)C12CCNCC2.OCC1CCCCN1.OCC1CCNCC1.ON=C1CCNCC1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CCNC2C[C@@H]3CC[C@H]2C3)cc1.c1cncc(CNCc2cccnc2)c1
InChIInChI=1S/C18H23N.C17H20N2.C15H16N2O.C15H21N.C14H23NO3.C14H19NO.C13H17N3O.C12H13N3.C10H11ClF3N3.C10H14ClN.C9H12N2O2.C8H18N2.2C6H13NO.C5H10N2O.C5H11N.C4H9NS.C2H5N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17;1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-12(2)15-10-13(16)11-17-8-9-18-14-6-4-3-5-7-14;1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13;17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12;11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;1-8(12-2)7-9-3-5-10(11)6-4-9;12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2-3-6-10-7-4-9-5-8-10;8-5-6-1-3-7-4-2-6;8-5-6-3-1-2-4-7-6;8-7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-3-1/h2-7,9-12,16,19H,8,13-15H2,1H3;1-10,17-18H,11-14H2;1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1-5,13-16H,6-11H2;3-7,12-13,15-16H,8-11H2,1-2H3;3-4,8-9,13,15-16H,5-7H2,1-2H3;1-5,14H,6-10H2,(H,15,17);1-8,15H,9-10H2;5-6,15H,1-4H2;3-6,8,12H,7H2,1-2H3;1-2,7,10H,3-6H2;9H,2-8H2,1H3;2*6-8H,1-5H2;6,8H,1-4H2;6H,1-5H2;5H,1-4H2;3H,1-2H2/t16-;;14-;13-,14+,15?;;9-,13+,14+;;;;;;;;;;;;/m1.01.1............/s1
InChIKeyUTEMSDASFVAAIC-JWAKGHPUSA-N
XLogP24.81
TPSA501.70 Ų
H-Bond Donors25
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003210.32
LogP ≤ 524.81
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine?
The IUPAC name of aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine (CID 161186785) is aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine.
What is the SMILES notation for aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine?
The canonical SMILES for aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine is C1CCNCC1.C1CN1.C1CSCCN1.CC(C)NCC(O)COCCOc1ccccc1.CCCCN1CCNCC1.CNC(C)Cc1ccc(Cl)cc1.C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2.C[C@H](Cc1ccccc1)NCCCc1ccccc1.FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1.O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1.O=C(c1ccco1)N1CCNCC1.O=C1NCN(c2ccccc2)C12CCNCC2.OCC1CCCCN1.OCC1CCNCC1.ON=C1CCNCC1.c1ccc(C(c2ccccc2)N2CCNCC2)cc1.c1ccc(CCNC2C[C@@H]3CC[C@H]2C3)cc1.c1cncc(CNCc2cccnc2)c1.
What is the InChIKey of aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine?
The InChIKey is UTEMSDASFVAAIC-JWAKGHPUSA-N. The full InChI is InChI=1S/C18H23N.C17H20N2.C15H16N2O.C15H21N.C14H23NO3.C14H19NO.C13H17N3O.C12H13N3.C10H11ClF3N3.C10H14ClN.C9H12N2O2.C8H18N2.2C6H13NO.C5H10N2O.C5H11N.C4H9NS.C2H5N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17;1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-12(2)15-10-13(16)11-17-8-9-18-14-6-4-3-5-7-14;1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13;17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12;11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17;1-8(12-2)7-9-3-5-10(11)6-4-9;12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2-3-6-10-7-4-9-5-8-10;8-5-6-1-3-7-4-2-6;8-5-6-3-1-2-4-7-6;8-7-5-1-3-6-4-2-5;1-2-4-6-5-3-1;1-3-6-4-2-5-1;1-2-3-1/h2-7,9-12,16,19H,8,13-15H2,1H3;1-10,17-18H,11-14H2;1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1-5,13-16H,6-11H2;3-7,12-13,15-16H,8-11H2,1-2H3;3-4,8-9,13,15-16H,5-7H2,1-2H3;1-5,14H,6-10H2,(H,15,17);1-8,15H,9-10H2;5-6,15H,1-4H2;3-6,8,12H,7H2,1-2H3;1-2,7,10H,3-6H2;9H,2-8H2,1H3;2*6-8H,1-5H2;6,8H,1-4H2;6H,1-5H2;5H,1-4H2;3H,1-2H2/t16-;;14-;13-,14+,15?;;9-,13+,14+;;;;;;;;;;;;/m1.01.1............/s1.
What are the key properties of aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine?
aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine has a molecular weight of 3210.32 g/mol, XLogP of 24.81, 40 rotatable bonds, 25 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;1-benzhydrylpiperazine;1-butylpiperazine;1-(4-chlorophenyl)-N-methylpropan-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine;(1S,9S,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;furan-2-yl(piperazin-1-yl)methanone;(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;1-(2-phenoxyethoxy)-3-(propan-2-ylamino)propan-2-ol;(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine;(2R)-1-phenyl-N-(3-phenylpropyl)propan-2-amine;1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;piperidine;N-piperidin-4-ylidenehydroxylamine;piperidin-2-ylmethanol;piperidin-4-ylmethanol;1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine;thiomorpholine is sourced from PubChem (CID 161186785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).