1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane

C16H23NO2 — CID 82624045

IUPAC1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
SMILESCOc1ccc(OC)c(C2NCCC23CCCC3)c1
InChIInChI=1S/C16H23NO2/c1-18-12-5-6-14(19-2)13(11-12)15-16(9-10-17-15)7-3-4-8-16/h5-6,11,15,17H,3-4,7-10H2,1-2H3
InChIKeyTWPNTHKRBHRTEB-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.30
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane

1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane (PubChem CID 82624045) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
PubChem CID82624045
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
SMILESCOc1ccc(OC)c(C2NCCC23CCCC3)c1
InChIInChI=1S/C16H23NO2/c1-18-12-5-6-14(19-2)13(11-12)15-16(9-10-17-15)7-3-4-8-16/h5-6,11,15,17H,3-4,7-10H2,1-2H3
InChIKeyTWPNTHKRBHRTEB-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-2-azaspiro[4.5]decane
CID 82626038
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2'S,3R)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897641
(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897645
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
(4R)-4-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186269
2-(2,5-dimethoxyphenyl)thiomorpholine
CID 82084348
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
5-(2,5-dimethoxyphenyl)-2-methylmorpholine
CID 82291906
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane (CID 82624045) is 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane is COc1ccc(OC)c(C2NCCC23CCCC3)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane?
The InChIKey is TWPNTHKRBHRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-12-5-6-14(19-2)13(11-12)15-16(9-10-17-15)7-3-4-8-16/h5-6,11,15,17H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane?
1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane has a molecular weight of 261.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 82624045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).