carbanide;1-methyl-4-phenylpiperazine;yttrium

C12H18N2Y-2 — CID 58870665

IUPACcarbanide;1-methyl-4-phenylpiperazine;yttrium
SMILESCN1CCN(c2cc[c-]cc2)CC1.[CH3-].[Y]
InChIInChI=1S/C11H15N2.CH3.Y/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;;/h3-6H,7-10H2,1H3;1H3;/q2*-1;
InChIKeyFFRONZXFHDLWEV-UHFFFAOYSA-N
MW279.20 g/mol
LogP1.69
Rot. Bonds1

About carbanide;1-methyl-4-phenylpiperazine;yttrium

carbanide;1-methyl-4-phenylpiperazine;yttrium (PubChem CID 58870665) has the molecular formula C12H18N2Y-2 and a molecular weight of 279.20 g/mol. Its IUPAC name is carbanide;1-methyl-4-phenylpiperazine;yttrium.

Molecular Properties

Compound Namecarbanide;1-methyl-4-phenylpiperazine;yttrium
PubChem CID58870665
Molecular FormulaC12H18N2Y-2
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Namecarbanide;1-methyl-4-phenylpiperazine;yttrium
SMILESCN1CCN(c2cc[c-]cc2)CC1.[CH3-].[Y]
InChIInChI=1S/C11H15N2.CH3.Y/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;;/h3-6H,7-10H2,1H3;1H3;/q2*-1;
InChIKeyFFRONZXFHDLWEV-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
1-(7-Fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine
CID 143579500
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-methyl-6-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 20511065
1-Cyclohexa-1,5-dien-1-yl-4-methylpiperazine
CID 21950702
8-(4-methylpiperazin-1-yl)-4H-quinolizine
CID 54192911
6,11-Dimethyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
CID 56616840

Frequently Asked Questions

What is the IUPAC name of carbanide;1-methyl-4-phenylpiperazine;yttrium?
The IUPAC name of carbanide;1-methyl-4-phenylpiperazine;yttrium (CID 58870665) is carbanide;1-methyl-4-phenylpiperazine;yttrium.
What is the SMILES notation for carbanide;1-methyl-4-phenylpiperazine;yttrium?
The canonical SMILES for carbanide;1-methyl-4-phenylpiperazine;yttrium is CN1CCN(c2cc[c-]cc2)CC1.[CH3-].[Y].
What is the InChIKey of carbanide;1-methyl-4-phenylpiperazine;yttrium?
The InChIKey is FFRONZXFHDLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2.CH3.Y/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;;/h3-6H,7-10H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-methyl-4-phenylpiperazine;yttrium?
carbanide;1-methyl-4-phenylpiperazine;yttrium has a molecular weight of 279.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-methyl-4-phenylpiperazine;yttrium is sourced from PubChem (CID 58870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).