2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene

C21H24N2 — CID 66701167

IUPAC2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccncc2)CCC2(C1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H24N2/c1-2-4-18(5-3-1)16-23-15-12-21(17-23)10-6-19(7-11-21)20-8-13-22-14-9-20/h1-6,8-9,13-14H,7,10-12,15-17H2
InChIKeyZQONACDTIVSZPW-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.54
Rot. Bonds3

About 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene

2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene (PubChem CID 66701167) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene
PubChem CID66701167
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene
SMILESC1=C(c2ccncc2)CCC2(C1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H24N2/c1-2-4-18(5-3-1)16-23-15-12-21(17-23)10-6-19(7-11-21)20-8-13-22-14-9-20/h1-6,8-9,13-14H,7,10-12,15-17H2
InChIKeyZQONACDTIVSZPW-UHFFFAOYSA-N
XLogP4.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
CID 121205306
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570
6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
CID 71650612
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene?
The IUPAC name of 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene (CID 66701167) is 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene.
What is the SMILES notation for 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene?
The canonical SMILES for 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene is C1=C(c2ccncc2)CCC2(C1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene?
The InChIKey is ZQONACDTIVSZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-4-18(5-3-1)16-23-15-12-21(17-23)10-6-19(7-11-21)20-8-13-22-14-9-20/h1-6,8-9,13-14H,7,10-12,15-17H2.
What are the key properties of 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene?
2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene has a molecular weight of 304.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-pyridin-4-yl-2-azaspiro[4.5]dec-7-ene is sourced from PubChem (CID 66701167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).