2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane

C22H28N2 — CID 113247774

IUPAC2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(C2CNCCC23CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C22H28N2/c1-18-7-9-20(10-8-18)21-15-23-13-11-22(21)12-14-24(17-22)16-19-5-3-2-4-6-19/h2-10,21,23H,11-17H2,1H3
InChIKeyPQXHFWYMNYAWJD-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.96
Rot. Bonds3

About 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane

2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 113247774) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID113247774
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(C2CNCCC23CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C22H28N2/c1-18-7-9-20(10-8-18)21-15-23-13-11-22(21)12-14-24(17-22)16-19-5-3-2-4-6-19/h2-10,21,23H,11-17H2,1H3
InChIKeyPQXHFWYMNYAWJD-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 79310836
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 153204590
3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
(2R)-4-benzyl-2-(4-methylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 124637599
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
CID 83669932
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731
2-benzyl-2,10-diazaspiro[4.6]undecan-6-ol
CID 83488694

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane (CID 113247774) is 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane is Cc1ccc(C2CNCCC23CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is PQXHFWYMNYAWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-18-7-9-20(10-8-18)21-15-23-13-11-22(21)12-14-24(17-22)16-19-5-3-2-4-6-19/h2-10,21,23H,11-17H2,1H3.
What are the key properties of 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane?
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 320.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 113247774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).