7-phenyl-4,7-diazaspiro[2.5]octane

C12H16N2 — CID 146100859

IUPAC7-phenyl-4,7-diazaspiro[2.5]octane
SMILESc1ccc(N2CCNC3(CC3)C2)cc1
InChIInChI=1S/C12H16N2/c1-2-4-11(5-3-1)14-9-8-13-12(10-14)6-7-12/h1-5,13H,6-10H2
InChIKeyHYFMVWDGJNYSCW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.63
Rot. Bonds1

About 7-phenyl-4,7-diazaspiro[2.5]octane

7-phenyl-4,7-diazaspiro[2.5]octane (PubChem CID 146100859) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-phenyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-phenyl-4,7-diazaspiro[2.5]octane
PubChem CID146100859
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name7-phenyl-4,7-diazaspiro[2.5]octane
SMILESc1ccc(N2CCNC3(CC3)C2)cc1
InChIInChI=1S/C12H16N2/c1-2-4-11(5-3-1)14-9-8-13-12(10-14)6-7-12/h1-5,13H,6-10H2
InChIKeyHYFMVWDGJNYSCW-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
CID 64952940
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane
CID 64925742
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004
11-pyridin-3-yl-7,11-diazaspiro[5.6]dodecane
CID 64941322
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane;dihydrochloride
CID 22291216
9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
CID 65429942
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
1-(4-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924864

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-phenyl-4,7-diazaspiro[2.5]octane (CID 146100859) is 7-phenyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-phenyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-phenyl-4,7-diazaspiro[2.5]octane is c1ccc(N2CCNC3(CC3)C2)cc1.
What is the InChIKey of 7-phenyl-4,7-diazaspiro[2.5]octane?
The InChIKey is HYFMVWDGJNYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-11(5-3-1)14-9-8-13-12(10-14)6-7-12/h1-5,13H,6-10H2.
What are the key properties of 7-phenyl-4,7-diazaspiro[2.5]octane?
7-phenyl-4,7-diazaspiro[2.5]octane has a molecular weight of 188.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 146100859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).