N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium

C18H20N2Y-2 — CID 59809572

IUPACN-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium
SMILESCc1c[c-]c(N(c2[c-]cccc2)C2CCNCC2)cc1.[Y]
InChIInChI=1S/C18H20N2.Y/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19-14-12-18;/h2-5,7-9,18-19H,11-14H2,1H3;/q-2;
InChIKeyYNUSEQOXROCHIA-UHFFFAOYSA-N
MW353.28 g/mol
LogP3.48
Rot. Bonds3

About N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium

N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium (PubChem CID 59809572) has the molecular formula C18H20N2Y-2 and a molecular weight of 353.28 g/mol. Its IUPAC name is N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium.

Molecular Properties

Compound NameN-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium
PubChem CID59809572
Molecular FormulaC18H20N2Y-2
Molecular Weight353.28 g/mol
Exact Mass353.07
IUPAC NameN-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium
SMILESCc1c[c-]c(N(c2[c-]cccc2)C2CCNCC2)cc1.[Y]
InChIInChI=1S/C18H20N2.Y/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19-14-12-18;/h2-5,7-9,18-19H,11-14H2,1H3;/q-2;
InChIKeyYNUSEQOXROCHIA-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium?
The IUPAC name of N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium (CID 59809572) is N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium.
What is the SMILES notation for N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium?
The canonical SMILES for N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium is Cc1c[c-]c(N(c2[c-]cccc2)C2CCNCC2)cc1.[Y].
What is the InChIKey of N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium?
The InChIKey is YNUSEQOXROCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.Y/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19-14-12-18;/h2-5,7-9,18-19H,11-14H2,1H3;/q-2;.
What are the key properties of N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium?
N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium has a molecular weight of 353.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylbenzene-6-id-1-yl)-N-phenylpiperidin-4-amine;yttrium is sourced from PubChem (CID 59809572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).