1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol

C117H252N18O6 — CID 161499621

IUPAC1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol
SMILESCCCCC(O)CNN1CCN(C)CC1.CCCCCCC(C)CN(CC(O)CCCCCC)N1CCN(C)CC1.CCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCC(C)CN(CC(O)CCCCCCCC)N1CCN(C)CC1.CCCCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCCCC(C)CN(CC(O)CCCCCCCCCC)N1CCN(C)CC1
InChIInChI=1S/C30H63N3O.C26H55N3O.C22H47N3O.C15H33N3O.C13H29N3O.C11H25N3O/c1-5-7-9-11-13-15-17-19-21-29(3)27-33(32-25-23-31(4)24-26-32)28-30(34)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-25(3)23-29(28-21-19-27(4)20-22-28)24-26(30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-21(3)19-25(24-17-15-23(4)16-18-24)20-22(26)14-12-10-8-6-2;1-3-4-5-6-7-8-9-15(19)14-16-18-12-10-17(2)11-13-18;1-3-4-5-6-7-13(17)12-14-16-10-8-15(2)9-11-16;1-3-4-5-11(15)10-12-14-8-6-13(2)7-9-14/h29-30,34H,5-28H2,1-4H3;25-26,30H,5-24H2,1-4H3;21-22,26H,5-20H2,1-4H3;15-16,19H,3-14H2,1-2H3;13-14,17H,3-12H2,1-2H3;11-12,15H,3-10H2,1-2H3
InChIKeyWGQYMDMWPWNPHF-UHFFFAOYSA-N
MW2007.42 g/mol
LogP21.06
Rot. Bonds81

About 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol

1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol (PubChem CID 161499621) has the molecular formula C117H252N18O6 and a molecular weight of 2007.42 g/mol. Its IUPAC name is 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol.

Molecular Properties

Compound Name1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol
PubChem CID161499621
Molecular FormulaC117H252N18O6
Molecular Weight2007.42 g/mol
Exact Mass2006.00
IUPAC Name1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol
SMILESCCCCC(O)CNN1CCN(C)CC1.CCCCCCC(C)CN(CC(O)CCCCCC)N1CCN(C)CC1.CCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCC(C)CN(CC(O)CCCCCCCC)N1CCN(C)CC1.CCCCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCCCC(C)CN(CC(O)CCCCCCCCCC)N1CCN(C)CC1
InChIInChI=1S/C30H63N3O.C26H55N3O.C22H47N3O.C15H33N3O.C13H29N3O.C11H25N3O/c1-5-7-9-11-13-15-17-19-21-29(3)27-33(32-25-23-31(4)24-26-32)28-30(34)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-25(3)23-29(28-21-19-27(4)20-22-28)24-26(30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-21(3)19-25(24-17-15-23(4)16-18-24)20-22(26)14-12-10-8-6-2;1-3-4-5-6-7-8-9-15(19)14-16-18-12-10-17(2)11-13-18;1-3-4-5-6-7-13(17)12-14-16-10-8-15(2)9-11-16;1-3-4-5-11(15)10-12-14-8-6-13(2)7-9-14/h29-30,34H,5-28H2,1-4H3;25-26,30H,5-24H2,1-4H3;21-22,26H,5-20H2,1-4H3;15-16,19H,3-14H2,1-2H3;13-14,17H,3-12H2,1-2H3;11-12,15H,3-10H2,1-2H3
InChIKeyWGQYMDMWPWNPHF-UHFFFAOYSA-N
XLogP21.06
TPSA206.07 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds81
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.42
LogP ≤ 521.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol
CID 118924469
bis(1-[[bis(2-hydroxydecyl)amino]-methylamino]decan-2-ol);1-[[bis(2-hydroxydodecyl)amino]-methylamino]dodecan-2-ol;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(4-methylpiperazin-1-yl)amino]propanamide;N-dodecyl-3-[(4-methylpiperazin-1-yl)amino]propanamide;1-[2-(2-hydroxydecyl)-2-methylhydrazinyl]decan-2-ol;1-[2-hydroxydodecyl(methylamino)amino]dodecan-2-ol
CID 159652601
4-methyl-N-octylpiperazin-1-amine
CID 83010569
1-[bis(1-hydroxyethyl)amino]hexadecan-2-ol
CID 57193035
1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623
dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 160903118
1-[5-(decylamino)pentyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]dodecan-2-ol
CID 59630645
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
11-methylnonadecan-7-ol
CID 87923390
1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol
CID 145029348
1-[2-hydroxyhexadecyl(methyl)amino]-4-methylicosan-6-ol
CID 156677909
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol?
The IUPAC name of 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol (CID 161499621) is 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol.
What is the SMILES notation for 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol?
The canonical SMILES for 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol is CCCCC(O)CNN1CCN(C)CC1.CCCCCCC(C)CN(CC(O)CCCCCC)N1CCN(C)CC1.CCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCC(C)CN(CC(O)CCCCCCCC)N1CCN(C)CC1.CCCCCCCCC(O)CNN1CCN(C)CC1.CCCCCCCCCCC(C)CN(CC(O)CCCCCCCCCC)N1CCN(C)CC1.
What is the InChIKey of 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol?
The InChIKey is WGQYMDMWPWNPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N3O.C26H55N3O.C22H47N3O.C15H33N3O.C13H29N3O.C11H25N3O/c1-5-7-9-11-13-15-17-19-21-29(3)27-33(32-25-23-31(4)24-26-32)28-30(34)22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-25(3)23-29(28-21-19-27(4)20-22-28)24-26(30)18-16-14-12-10-8-6-2;1-5-7-9-11-13-21(3)19-25(24-17-15-23(4)16-18-24)20-22(26)14-12-10-8-6-2;1-3-4-5-6-7-8-9-15(19)14-16-18-12-10-17(2)11-13-18;1-3-4-5-6-7-13(17)12-14-16-10-8-15(2)9-11-16;1-3-4-5-11(15)10-12-14-8-6-13(2)7-9-14/h29-30,34H,5-28H2,1-4H3;25-26,30H,5-24H2,1-4H3;21-22,26H,5-20H2,1-4H3;15-16,19H,3-14H2,1-2H3;13-14,17H,3-12H2,1-2H3;11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol?
1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol has a molecular weight of 2007.42 g/mol, XLogP of 21.06, 81 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyldecyl-(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[2-methyldodecyl-(4-methylpiperazin-1-yl)amino]dodecan-2-ol;1-[2-methyloctyl-(4-methylpiperazin-1-yl)amino]octan-2-ol;1-[(4-methylpiperazin-1-yl)amino]decan-2-ol;1-[(4-methylpiperazin-1-yl)amino]hexan-2-ol;1-[(4-methylpiperazin-1-yl)amino]octan-2-ol is sourced from PubChem (CID 161499621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).