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

C13H18N2 — CID 70451139

IUPAC7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane
SMILESCN1CCN(c2ccccc2)C2(CC2)C1
InChIInChI=1S/C13H18N2/c1-14-9-10-15(13(11-14)7-8-13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyQAFHGDGMVZXOTO-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.97
Rot. Bonds1

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

7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane (PubChem CID 70451139) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane
PubChem CID70451139
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane
SMILESCN1CCN(c2ccccc2)C2(CC2)C1
InChIInChI=1S/C13H18N2/c1-14-9-10-15(13(11-14)7-8-13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyQAFHGDGMVZXOTO-UHFFFAOYSA-N
XLogP1.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 949
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CID 7490
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
CID 118703
1-(2-Fluorophenyl)piperazine
CID 70529
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
3-(Ethylphenylamino)propanenitrile
CID 8995
1-(3-Fluorophenyl)piperazine
CID 77418
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane (CID 70451139) is 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane is CN1CCN(c2ccccc2)C2(CC2)C1.
What is the InChIKey of 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane?
The InChIKey is QAFHGDGMVZXOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-9-10-15(13(11-14)7-8-13)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane?
7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane has a molecular weight of 202.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 70451139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).