2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine

C164H334N28O6 — CID 165012656

IUPAC2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
SMILESCC(C)C(=O)N1CC(CCN2CCN(C(C)C)CC2)C1.CC(C)C(=O)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H35N3O.C18H37N3.C17H35N3O.C17H33N3O.C17H35N3.C16H31N3O.C16H33N3.C15H31N3.2C15H32N2O/c1-15(2)18(22)21-9-6-17(7-10-21)5-8-19-11-13-20(14-12-19)16(3)4;1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4;1-15(2)19-7-5-17(6-8-19)21-14-13-18-9-11-20(12-10-18)16(3)4;1-14(2)17(21)20-7-5-16(6-8-20)13-18-9-11-19(12-10-18)15(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-13(2)16(20)19-11-15(12-19)5-6-17-7-9-18(10-8-17)14(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;2*1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-17H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3;13-15H,5-12H2,1-4H3;14-16H,5-13H2,1-4H3;13-15H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3
InChIKeyJYAMVHSTJOJIBU-UHFFFAOYSA-N
MW2794.67 g/mol
LogP22.15
Rot. Bonds56

About 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine

2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine (PubChem CID 165012656) has the molecular formula C164H334N28O6 and a molecular weight of 2794.67 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
PubChem CID165012656
Molecular FormulaC164H334N28O6
Molecular Weight2794.67 g/mol
Exact Mass2792.67
IUPAC Name2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
SMILESCC(C)C(=O)N1CC(CCN2CCN(C(C)C)CC2)C1.CC(C)C(=O)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H35N3O.C18H37N3.C17H35N3O.C17H33N3O.C17H35N3.C16H31N3O.C16H33N3.C15H31N3.2C15H32N2O/c1-15(2)18(22)21-9-6-17(7-10-21)5-8-19-11-13-20(14-12-19)16(3)4;1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4;1-15(2)19-7-5-17(6-8-19)21-14-13-18-9-11-20(12-10-18)16(3)4;1-14(2)17(21)20-7-5-16(6-8-20)13-18-9-11-19(12-10-18)15(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-13(2)16(20)19-11-15(12-19)5-6-17-7-9-18(10-8-17)14(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;2*1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-17H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3;13-15H,5-12H2,1-4H3;14-16H,5-13H2,1-4H3;13-15H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3
InChIKeyJYAMVHSTJOJIBU-UHFFFAOYSA-N
XLogP22.15
TPSA169.62 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds56
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.67
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

Cyclobutyl-(3-propan-2-ylazetidin-1-yl)methanone;2,6-dimethyl-4-propan-2-yloxane;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;ethane;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclobutane;4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 157900898
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 159993938
5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
CID 160025478
5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;1-methyl-4-propan-2-ylpiperazin-2-one;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
CID 161382337
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 161402239
5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5R)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
CID 161754295
2-Methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 165090205
4-[2-(2-Ethoxyethoxy)ethoxy]-1-propylpiperidine;4-(2-ethoxyethoxy)-1-(2-methylpropyl)piperidine;4-(2-ethoxyethyl)-1-propylpiperidine;1-[3-(1-ethylazetidin-3-yl)oxypropyl]-4-(2-methylpropyl)piperazine;1-ethyl-4-[[1-(2-methylpropyl)azetidin-3-yl]methyl]piperazine;1-ethyl-4-[1-(2-methylpropyl)azetidin-3-yl]piperazine;4-[2-(2-methoxyethoxy)ethoxy]-1-propylpiperidine;4-(2-methoxyethoxy)-1-(2-methylpropyl)piperidine;4-(2-methoxyethyl)-1-propylpiperidine;1-[3-(1-methylazetidin-3-yl)oxypropyl]-4-(2-methylpropyl)piperazine;1-methyl-4-[[1-(2-methylpropyl)azetidin-3-yl]methyl]piperazine;1-methyl-4-[1-(2-methylpropyl)azetidin-3-yl]piperazine;1-methyl-4-[3-[1-(2-methylpropyl)piperidin-4-yl]propyl]piperazine
CID 167634141
5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;(5S)-5-(azetidin-1-ylmethyl)-1-propan-2-ylpiperidin-2-one;methane;1-methyl-4-propan-2-ylpiperazin-2-one;2-(1-methyl-4-propan-2-ylpiperazin-2-yl)propan-2-ol;2-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;2-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]propan-2-ol;1-methyl-4-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-3-(1-propan-2-ylpiperidin-3-yl)azetidin-3-ol;1-methyl-3-[(3R)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;1-methyl-3-[(3S)-1-propan-2-ylpiperidin-3-yl]azetidin-3-ol;4-(1-propan-2-ylpiperidin-3-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-[(3S)-1-propan-2-ylpiperidin-3-yl]morpholine;4-[(3R)-1-propan-2-ylpiperidin-3-yl]morpholine
CID 167653749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The IUPAC name of 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine (CID 165012656) is 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine.
What is the SMILES notation for 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The canonical SMILES for 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine is CC(C)C(=O)N1CC(CCN2CCN(C(C)C)CC2)C1.CC(C)C(=O)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)C(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(OCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
The InChIKey is JYAMVHSTJOJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.C18H37N3.C17H35N3O.C17H33N3O.C17H35N3.C16H31N3O.C16H33N3.C15H31N3.2C15H32N2O/c1-15(2)18(22)21-9-6-17(7-10-21)5-8-19-11-13-20(14-12-19)16(3)4;1-16(2)20-10-7-18(8-11-20)6-5-9-19-12-14-21(15-13-19)17(3)4;1-15(2)19-7-5-17(6-8-19)21-14-13-18-9-11-20(12-10-18)16(3)4;1-14(2)17(21)20-7-5-16(6-8-20)13-18-9-11-19(12-10-18)15(3)4;1-15(2)19-9-6-17(7-10-19)5-8-18-11-13-20(14-12-18)16(3)4;1-13(2)16(20)19-11-15(12-19)5-6-17-7-9-18(10-8-17)14(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;2*1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-17H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;15-17H,5-14H2,1-4H3;14-16H,5-13H2,1-4H3;15-17H,5-14H2,1-4H3;13-15H,5-12H2,1-4H3;14-16H,5-13H2,1-4H3;13-15H,5-12H2,1-4H3;2*14-15H,5-13H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine?
2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine has a molecular weight of 2794.67 g/mol, XLogP of 22.15, 56 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]azetidin-1-yl]propan-1-one;2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one;2-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;bis(1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine);1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine is sourced from PubChem (CID 165012656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).