bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid

C28H53ClN4NiO4-2 — CID 54600472

IUPACbis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid
SMILESCC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.CC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.[Ni+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/2C14H26N2.ClHO4.Ni/c2*1-11-5-7-15-13(9-11)3-4-14-10-12(2)6-8-16-14;2-1(3,4)5;/h2*11-14H,3-10H2,1-2H3;(H,2,3,4,5);/q2*-2;;+2
InChIKeyVSYHPNODKXLCJF-UHFFFAOYSA-N
MW603.90 g/mol
LogP4.10
Rot. Bonds6

About bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid

bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid (PubChem CID 54600472) has the molecular formula C28H53ClN4NiO4-2 and a molecular weight of 603.90 g/mol. Its IUPAC name is bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid.

Molecular Properties

Compound Namebis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid
PubChem CID54600472
Molecular FormulaC28H53ClN4NiO4-2
Molecular Weight603.90 g/mol
Exact Mass602.31
IUPAC Namebis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid
SMILESCC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.CC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.[Ni+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/2C14H26N2.ClHO4.Ni/c2*1-11-5-7-15-13(9-11)3-4-14-10-12(2)6-8-16-14;2-1(3,4)5;/h2*11-14H,3-10H2,1-2H3;(H,2,3,4,5);/q2*-2;;+2
InChIKeyVSYHPNODKXLCJF-UHFFFAOYSA-N
XLogP4.10
TPSA145.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanidacyclobut-2-ylmethanol;tungsten
CID 58697670
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
dicyclopropylmethanimine;perchloric acid
CID 86745742
2-(3-methylcyclobutyl)ethanol
CID 59157244
ethane;(4-methylcyclohexyl)methanol
CID 142233866
[(2S,4R)-1-ethyl-4-methylpiperidin-2-yl]methanol
CID 145404764
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
CID 130634349

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid?
The IUPAC name of bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid (CID 54600472) is bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid.
What is the SMILES notation for bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid?
The canonical SMILES for bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid is CC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.CC1CC[N-]C(CCC2CC(C)CC[N-]2)C1.[Ni+2].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid?
The InChIKey is VSYHPNODKXLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2.ClHO4.Ni/c2*1-11-5-7-15-13(9-11)3-4-14-10-12(2)6-8-16-14;2-1(3,4)5;/h2*11-14H,3-10H2,1-2H3;(H,2,3,4,5);/q2*-2;;+2.
What are the key properties of bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid?
bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid has a molecular weight of 603.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-[2-(4-methylpiperidin-1-id-2-yl)ethyl]piperidin-1-ide);nickel(2+);perchloric acid is sourced from PubChem (CID 54600472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).