N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one

C45H89N7O2 — CID 91491188

IUPACN,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one
SMILESCC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)C1.CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H54N4.C19H35N3O2/c1-23(2)17-21(18-24(3,4)27-23)29(9)15-13-11-12-14-16-30(10)22-19-25(5,6)28-26(7,8)20-22;1-16(2)11-17(3,4)14(23)21(12-16)9-10-22-13-18(5,6)20-19(7,8)15(22)24/h21-22,27-28H,11-20H2,1-10H3;20H,9-13H2,1-8H3
InChIKeyGZJPXCRMCBEMHI-UHFFFAOYSA-N
MW760.25 g/mol
LogP7.29
Rot. Bonds12

About N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one

N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one (PubChem CID 91491188) has the molecular formula C45H89N7O2 and a molecular weight of 760.25 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one
PubChem CID91491188
Molecular FormulaC45H89N7O2
Molecular Weight760.25 g/mol
Exact Mass759.71
IUPAC NameN,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one
SMILESCC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)C1.CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H54N4.C19H35N3O2/c1-23(2)17-21(18-24(3,4)27-23)29(9)15-13-11-12-14-16-30(10)22-19-25(5,6)28-26(7,8)20-22;1-16(2)11-17(3,4)14(23)21(12-16)9-10-22-13-18(5,6)20-19(7,8)15(22)24/h21-22,27-28H,11-20H2,1-10H3;20H,9-13H2,1-8H3
InChIKeyGZJPXCRMCBEMHI-UHFFFAOYSA-N
XLogP7.29
TPSA83.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.25
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

2,2'-(1,4-piperazinediyl)bis[N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide]
CID 5186402
1-(2,2,6,6-Tetramethylpiperidin-4-yl)-4-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]piperazine-2,3-dione
CID 19373533
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 19834314
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)decanediamide
CID 19834324
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
CID 21318529
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
CID 54115273
N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-2-[5-[2-oxopropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54318678
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338408
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338409
N-[5-[[2-[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 54531064
N-[6-[[2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 58003096

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one (CID 91491188) is N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one is CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)C1.CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one?
The InChIKey is GZJPXCRMCBEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4.C19H35N3O2/c1-23(2)17-21(18-24(3,4)27-23)29(9)15-13-11-12-14-16-30(10)22-19-25(5,6)28-26(7,8)20-22;1-16(2)11-17(3,4)14(23)21(12-16)9-10-22-13-18(5,6)20-19(7,8)15(22)24/h21-22,27-28H,11-20H2,1-10H3;20H,9-13H2,1-8H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one?
N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one has a molecular weight of 760.25 g/mol, XLogP of 7.29, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperidin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 91491188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).