1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine

C160H255ClF6N34O10 — CID 158983749

IUPAC1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(C#N)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(C)(C)O)nc2)CC1.CC(C)N1CCN(Cc2ccc(OC(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1.CC(C)Oc1ccc(CN2CCN(C(C)C)CC2)cn1.CCOc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccnc1CN1CCN(C(C)C)CC1.COc1ncc(CN2CCN(C(C)C)CC2)cc1Cl.COc1ncc(F)cc1CN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H27N3O.C15H22F3N3O.C15H25N3O.C14H22ClN3O.C14H21F2N3O.C14H22FN3O.C14H20N4.3C14H23N3O/c1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(17-11-14)16(3,4)20;1-13(2)19-9-7-18(8-10-19)12-15-5-6-16(17-11-15)20-14(3)4;1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18;1-4-19-15-6-5-14(11-16-15)12-17-7-9-18(10-8-17)13(2)3;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)19-7-5-18(6-8-19)10-12-3-4-13(17-9-12)20-14(15)16;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)9-16-14(12)19-3;1-12(2)18-7-5-17(6-8-18)11-13-3-4-14(9-15)16-10-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-14(18-3)5-4-6-15-13/h5-6,11,13,20H,7-10,12H2,1-4H3;5-6,11,13-14H,7-10,12H2,1-4H3;3-4,9,12H,5-8,10-11H2,1-2H3;5-6,11,13H,4,7-10,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;3-4,9,11,14H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;3-4,10,12H,5-8,11H2,1-2H3;2*4-5,10,12H,6-9,11H2,1-3H3;4-6,12H,7-11H2,1-3H3
InChIKeyJPHSSJQQEWEONI-UHFFFAOYSA-N
MW2964.47 g/mol
LogP21.35
Rot. Bonds47

About 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine

1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine (PubChem CID 158983749) has the molecular formula C160H255ClF6N34O10 and a molecular weight of 2964.47 g/mol. Its IUPAC name is 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
PubChem CID158983749
Molecular FormulaC160H255ClF6N34O10
Molecular Weight2964.47 g/mol
Exact Mass2962.01
IUPAC Name1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
SMILESCC(C)N1CCN(Cc2ccc(C#N)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(C)(C)O)nc2)CC1.CC(C)N1CCN(Cc2ccc(OC(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1.CC(C)Oc1ccc(CN2CCN(C(C)C)CC2)cn1.CCOc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccnc1CN1CCN(C(C)C)CC1.COc1ncc(CN2CCN(C(C)C)CC2)cc1Cl.COc1ncc(F)cc1CN1CCN(C(C)C)CC1
InChIInChI=1S/2C16H27N3O.C15H22F3N3O.C15H25N3O.C14H22ClN3O.C14H21F2N3O.C14H22FN3O.C14H20N4.3C14H23N3O/c1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(17-11-14)16(3,4)20;1-13(2)19-9-7-18(8-10-19)12-15-5-6-16(17-11-15)20-14(3)4;1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18;1-4-19-15-6-5-14(11-16-15)12-17-7-9-18(10-8-17)13(2)3;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)19-7-5-18(6-8-19)10-12-3-4-13(17-9-12)20-14(15)16;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)9-16-14(12)19-3;1-12(2)18-7-5-17(6-8-18)11-13-3-4-14(9-15)16-10-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-14(18-3)5-4-6-15-13/h5-6,11,13,20H,7-10,12H2,1-4H3;5-6,11,13-14H,7-10,12H2,1-4H3;3-4,9,12H,5-8,10-11H2,1-2H3;5-6,11,13H,4,7-10,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;3-4,9,11,14H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;3-4,10,12H,5-8,11H2,1-2H3;2*4-5,10,12H,6-9,11H2,1-3H3;4-6,12H,7-11H2,1-3H3
InChIKeyJPHSSJQQEWEONI-UHFFFAOYSA-N
XLogP21.35
TPSA340.16 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002964.47
LogP ≤ 521.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 158191429
5-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 89474847
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752874
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyridine-2-carbonitrile
CID 151067245
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759845
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
3-chloro-1-(cyanomethylamino)-6-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 166475008
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
4-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8710918

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine (CID 158983749) is 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine is CC(C)N1CCN(Cc2ccc(C#N)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(C)(C)O)nc2)CC1.CC(C)N1CCN(Cc2ccc(OC(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(OCC(F)(F)F)nc2)CC1.CC(C)Oc1ccc(CN2CCN(C(C)C)CC2)cn1.CCOc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)nc1.COc1cccnc1CN1CCN(C(C)C)CC1.COc1ncc(CN2CCN(C(C)C)CC2)cc1Cl.COc1ncc(F)cc1CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
The InChIKey is JPHSSJQQEWEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H27N3O.C15H22F3N3O.C15H25N3O.C14H22ClN3O.C14H21F2N3O.C14H22FN3O.C14H20N4.3C14H23N3O/c1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(17-11-14)16(3,4)20;1-13(2)19-9-7-18(8-10-19)12-15-5-6-16(17-11-15)20-14(3)4;1-12(2)21-7-5-20(6-8-21)10-13-3-4-14(19-9-13)22-11-15(16,17)18;1-4-19-15-6-5-14(11-16-15)12-17-7-9-18(10-8-17)13(2)3;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)19-7-5-18(6-8-19)10-12-3-4-13(17-9-12)20-14(15)16;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)9-16-14(12)19-3;1-12(2)18-7-5-17(6-8-18)11-13-3-4-14(9-15)16-10-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)10-15-13;1-12(2)17-8-6-16(7-9-17)11-13-4-5-14(18-3)15-10-13;1-12(2)17-9-7-16(8-10-17)11-13-14(18-3)5-4-6-15-13/h5-6,11,13,20H,7-10,12H2,1-4H3;5-6,11,13-14H,7-10,12H2,1-4H3;3-4,9,12H,5-8,10-11H2,1-2H3;5-6,11,13H,4,7-10,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;3-4,9,11,14H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;3-4,10,12H,5-8,11H2,1-2H3;2*4-5,10,12H,6-9,11H2,1-3H3;4-6,12H,7-11H2,1-3H3.
What are the key properties of 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine?
1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine has a molecular weight of 2964.47 g/mol, XLogP of 21.35, 47 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(3-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-methoxy-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine;1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 158983749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).