3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane

C21H26N2 — CID 3233784

IUPAC3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2cccc(N3CCC4(CCNCC4)CC3)c2)cc1
InChIInChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-4-8-20(17-19)23-15-11-21(12-16-23)9-13-22-14-10-21/h1-8,17,22H,9-16H2
InChIKeyGJCJURQMSKOQSA-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.32
Rot. Bonds2

About 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane

3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 3233784) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID3233784
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2cccc(N3CCC4(CCNCC4)CC3)c2)cc1
InChIInChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-4-8-20(17-19)23-15-11-21(12-16-23)9-13-22-14-10-21/h1-8,17,22H,9-16H2
InChIKeyGJCJURQMSKOQSA-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane (CID 3233784) is 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane is c1ccc(-c2cccc(N3CCC4(CCNCC4)CC3)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is GJCJURQMSKOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-4-8-20(17-19)23-15-11-21(12-16-23)9-13-22-14-10-21/h1-8,17,22H,9-16H2.
What are the key properties of 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane?
3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 306.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3233784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).