carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium

C9H20N2OY-2 — CID 59274973

IUPACcarbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium
SMILES[CH2-]COCN1CCN(C)CC1.[CH3-].[Y]
InChIInChI=1S/C8H17N2O.CH3.Y/c1-3-11-8-10-6-4-9(2)5-7-10;;/h1,3-8H2,2H3;1H3;/q2*-1;
InChIKeyCIXFTCMYZKQVNJ-UHFFFAOYSA-N
MW261.18 g/mol
LogP0.49
Rot. Bonds3

About carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium

carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium (PubChem CID 59274973) has the molecular formula C9H20N2OY-2 and a molecular weight of 261.18 g/mol. Its IUPAC name is carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium.

Molecular Properties

Compound Namecarbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium
PubChem CID59274973
Molecular FormulaC9H20N2OY-2
Molecular Weight261.18 g/mol
Exact Mass261.06
IUPAC Namecarbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium
SMILES[CH2-]COCN1CCN(C)CC1.[CH3-].[Y]
InChIInChI=1S/C8H17N2O.CH3.Y/c1-3-11-8-10-6-4-9(2)5-7-10;;/h1,3-8H2,2H3;1H3;/q2*-1;
InChIKeyCIXFTCMYZKQVNJ-UHFFFAOYSA-N
XLogP0.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium?
The IUPAC name of carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium (CID 59274973) is carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium.
What is the SMILES notation for carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium?
The canonical SMILES for carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium is [CH2-]COCN1CCN(C)CC1.[CH3-].[Y].
What is the InChIKey of carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium?
The InChIKey is CIXFTCMYZKQVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O.CH3.Y/c1-3-11-8-10-6-4-9(2)5-7-10;;/h1,3-8H2,2H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium?
carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium has a molecular weight of 261.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(ethoxymethyl)-4-methylpiperazine;yttrium is sourced from PubChem (CID 59274973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).