3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol

C15H22N2O2 — CID 120908197

IUPAC3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
SMILESCOc1c(O)cccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H22N2O2/c1-19-14-12(3-2-4-13(14)18)9-17-8-6-15(11-17)5-7-16-10-15/h2-4,16,18H,5-11H2,1H3
InChIKeyDTJPWOJDWAENHK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.59
Rot. Bonds3

About 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol

3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol (PubChem CID 120908197) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol.

Molecular Properties

Compound Name3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
PubChem CID120908197
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
SMILESCOc1c(O)cccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H22N2O2/c1-19-14-12(3-2-4-13(14)18)9-17-8-6-15(11-17)5-7-16-10-15/h2-4,16,18H,5-11H2,1H3
InChIKeyDTJPWOJDWAENHK-UHFFFAOYSA-N
XLogP1.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
CID 120907996
2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908299
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol?
The IUPAC name of 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol (CID 120908197) is 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol.
What is the SMILES notation for 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol?
The canonical SMILES for 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol is COc1c(O)cccc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol?
The InChIKey is DTJPWOJDWAENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-12(3-2-4-13(14)18)9-17-8-6-15(11-17)5-7-16-10-15/h2-4,16,18H,5-11H2,1H3.
What are the key properties of 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol?
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol has a molecular weight of 262.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol is sourced from PubChem (CID 120908197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).