1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium

C16H25N2OY- — CID 178164698

IUPAC1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium
SMILESCOc1[c-]cc(N2CCN(CCC(C)C)CC2)cc1.[Y]
InChIInChI=1S/C16H25N2O.Y/c1-14(2)8-9-17-10-12-18(13-11-17)15-4-6-16(19-3)7-5-15;/h4-6,14H,8-13H2,1-3H3;/q-1;
InChIKeyXPAFTUASGQELGH-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium

1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium (PubChem CID 178164698) has the molecular formula C16H25N2OY- and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium.

Molecular Properties

Compound Name1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium
PubChem CID178164698
Molecular FormulaC16H25N2OY-
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium
SMILESCOc1[c-]cc(N2CCN(CCC(C)C)CC2)cc1.[Y]
InChIInChI=1S/C16H25N2O.Y/c1-14(2)8-9-17-10-12-18(13-11-17)15-4-6-16(19-3)7-5-15;/h4-6,14H,8-13H2,1-3H3;/q-1;
InChIKeyXPAFTUASGQELGH-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]-4-pentylpiperazine
CID 117797077
1-(3-Methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
CID 123635814
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-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium(3+)
CID 23597350
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106517
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106543

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium?
The IUPAC name of 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium (CID 178164698) is 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium.
What is the SMILES notation for 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium?
The canonical SMILES for 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium is COc1[c-]cc(N2CCN(CCC(C)C)CC2)cc1.[Y].
What is the InChIKey of 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium?
The InChIKey is XPAFTUASGQELGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O.Y/c1-14(2)8-9-17-10-12-18(13-11-17)15-4-6-16(19-3)7-5-15;/h4-6,14H,8-13H2,1-3H3;/q-1;.
What are the key properties of 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium?
1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium has a molecular weight of 350.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium is sourced from PubChem (CID 178164698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).