2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane

C21H26N2 — CID 3234779

IUPAC2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2ccc(N3CCCC4(CCNCC4)C3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-9-20(10-8-19)23-16-4-11-21(17-23)12-14-22-15-13-21/h1-3,5-10,22H,4,11-17H2
InChIKeyJJINXJIMUWWEOD-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.32
Rot. Bonds2

About 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane

2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 3234779) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane
PubChem CID3234779
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane
SMILESc1ccc(-c2ccc(N3CCCC4(CCNCC4)C3)cc2)cc1
InChIInChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-9-20(10-8-19)23-16-4-11-21(17-23)12-14-22-15-13-21/h1-3,5-10,22H,4,11-17H2
InChIKeyJJINXJIMUWWEOD-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 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane (CID 3234779) is 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane is c1ccc(-c2ccc(N3CCCC4(CCNCC4)C3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is JJINXJIMUWWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-5-18(6-3-1)19-7-9-20(10-8-19)23-16-4-11-21(17-23)12-14-22-15-13-21/h1-3,5-10,22H,4,11-17H2.
What are the key properties of 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane?
2-(4-phenylphenyl)-2,9-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 2-(4-phenylphenyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3234779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).