ethane;ethylbenzene;4-phenylpiperidine;yttrium

C21H30NY- — CID 161267029

IUPACethane;ethylbenzene;4-phenylpiperidine;yttrium
SMILESCC.CCc1cc[c-]cc1.[Y].c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.C8H9.C2H6.Y/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-8-6-4-3-5-7-8;1-2;/h1-5,11-12H,6-9H2;4-7H,2H2,1H3;1-2H3;/q;-1;;
InChIKeyUNRVPAVFGYUYMA-UHFFFAOYSA-N
MW385.38 g/mol
LogP5.23
Rot. Bonds2

About ethane;ethylbenzene;4-phenylpiperidine;yttrium

ethane;ethylbenzene;4-phenylpiperidine;yttrium (PubChem CID 161267029) has the molecular formula C21H30NY- and a molecular weight of 385.38 g/mol. Its IUPAC name is ethane;ethylbenzene;4-phenylpiperidine;yttrium.

Molecular Properties

Compound Nameethane;ethylbenzene;4-phenylpiperidine;yttrium
PubChem CID161267029
Molecular FormulaC21H30NY-
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Nameethane;ethylbenzene;4-phenylpiperidine;yttrium
SMILESCC.CCc1cc[c-]cc1.[Y].c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H15N.C8H9.C2H6.Y/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-8-6-4-3-5-7-8;1-2;/h1-5,11-12H,6-9H2;4-7H,2H2,1H3;1-2H3;/q;-1;;
InChIKeyUNRVPAVFGYUYMA-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanamine;4-phenylpiperidine
CID 143444696
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
ethylbenzene;yttrium
CID 59931165
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
ethane;3-phenylpyrrolidine
CID 91032726
4-phenylazocane
CID 19847318
ethane;ethylbenzene;pyrrolidine
CID 171827481
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;4-phenylpiperidine;yttrium?
The IUPAC name of ethane;ethylbenzene;4-phenylpiperidine;yttrium (CID 161267029) is ethane;ethylbenzene;4-phenylpiperidine;yttrium.
What is the SMILES notation for ethane;ethylbenzene;4-phenylpiperidine;yttrium?
The canonical SMILES for ethane;ethylbenzene;4-phenylpiperidine;yttrium is CC.CCc1cc[c-]cc1.[Y].c1ccc(C2CCNCC2)cc1.
What is the InChIKey of ethane;ethylbenzene;4-phenylpiperidine;yttrium?
The InChIKey is UNRVPAVFGYUYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C8H9.C2H6.Y/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-8-6-4-3-5-7-8;1-2;/h1-5,11-12H,6-9H2;4-7H,2H2,1H3;1-2H3;/q;-1;;.
What are the key properties of ethane;ethylbenzene;4-phenylpiperidine;yttrium?
ethane;ethylbenzene;4-phenylpiperidine;yttrium has a molecular weight of 385.38 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;4-phenylpiperidine;yttrium is sourced from PubChem (CID 161267029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).