1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium

C12H17N2OY- — CID 58594655

IUPAC1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
SMILESCOc1cc[c-]cc1N1CCN(C)CC1.[Y]
InChIInChI=1S/C12H17N2O.Y/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2;/h4-6H,7-10H2,1-2H3;/q-1;
InChIKeyIIONNZNLHBEJCU-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.24
Rot. Bonds2

About 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium

1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium (PubChem CID 58594655) has the molecular formula C12H17N2OY- and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium.

Molecular Properties

Compound Name1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
PubChem CID58594655
Molecular FormulaC12H17N2OY-
Molecular Weight294.19 g/mol
Exact Mass294.04
IUPAC Name1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
SMILESCOc1cc[c-]cc1N1CCN(C)CC1.[Y]
InChIInChI=1S/C12H17N2O.Y/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2;/h4-6H,7-10H2,1-2H3;/q-1;
InChIKeyIIONNZNLHBEJCU-UHFFFAOYSA-N
XLogP1.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]-4-pentylpiperazine
CID 117797077
1-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(3-Methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
CID 123635814
1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
CID 139516222
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106542
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium?
The IUPAC name of 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium (CID 58594655) is 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium.
What is the SMILES notation for 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium?
The canonical SMILES for 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium is COc1cc[c-]cc1N1CCN(C)CC1.[Y].
What is the InChIKey of 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium?
The InChIKey is IIONNZNLHBEJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O.Y/c1-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15-2;/h4-6H,7-10H2,1-2H3;/q-1;.
What are the key properties of 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium?
1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium has a molecular weight of 294.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium is sourced from PubChem (CID 58594655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).