methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane

C34H44N2 — CID 142117745

IUPACmethane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane
SMILESC.C=C1CCN(c2ccc(-c3ccccc3)cc2)CC1.c1ccc(N2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H19N.C15H21N.CH4/c1-15-11-13-19(14-12-15)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-2-6-14(7-3-1)16-12-10-15(11-13-16)8-4-5-9-15;/h2-10H,1,11-14H2;1-3,6-7H,4-5,8-13H2;1H4
InChIKeyARYBSHZZQNKSLN-UHFFFAOYSA-N
MW480.74 g/mol
LogP8.99
Rot. Bonds3

About methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane

methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane (PubChem CID 142117745) has the molecular formula C34H44N2 and a molecular weight of 480.74 g/mol. Its IUPAC name is methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Namemethane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane
PubChem CID142117745
Molecular FormulaC34H44N2
Molecular Weight480.74 g/mol
Exact Mass480.35
IUPAC Namemethane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane
SMILESC.C=C1CCN(c2ccc(-c3ccccc3)cc2)CC1.c1ccc(N2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H19N.C15H21N.CH4/c1-15-11-13-19(14-12-15)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-2-6-14(7-3-1)16-12-10-15(11-13-16)8-4-5-9-15;/h2-10H,1,11-14H2;1-3,6-7H,4-5,8-13H2;1H4
InChIKeyARYBSHZZQNKSLN-UHFFFAOYSA-N
XLogP8.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.74
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane?
The IUPAC name of methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane (CID 142117745) is methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane.
What is the SMILES notation for methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane?
The canonical SMILES for methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane is C.C=C1CCN(c2ccc(-c3ccccc3)cc2)CC1.c1ccc(N2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane?
The InChIKey is ARYBSHZZQNKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.C15H21N.CH4/c1-15-11-13-19(14-12-15)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-2-6-14(7-3-1)16-12-10-15(11-13-16)8-4-5-9-15;/h2-10H,1,11-14H2;1-3,6-7H,4-5,8-13H2;1H4.
What are the key properties of methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane?
methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane has a molecular weight of 480.74 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylidene-1-(4-phenylphenyl)piperidine;8-phenyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 142117745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).