4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane

C17H26N2O — CID 64925742

IUPAC4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane
SMILESCOCc1cccc(N2CCNC3(CCCCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-20-13-15-6-5-7-16(12-15)19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3
InChIKeyCLYVZGAXUYVGHB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds3

About 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane

4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64925742) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64925742
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane
SMILESCOCc1cccc(N2CCNC3(CCCCC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-20-13-15-6-5-7-16(12-15)19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3
InChIKeyCLYVZGAXUYVGHB-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
CID 64952940
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
1-[3-(methoxymethyl)phenyl]-N-methylpiperidin-4-amine
CID 54965277
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
11-pyridin-3-yl-7,11-diazaspiro[5.6]dodecane
CID 64941322

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane (CID 64925742) is 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane is COCc1cccc(N2CCNC3(CCCCC3)C2)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is CLYVZGAXUYVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-13-15-6-5-7-16(12-15)19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane?
4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 274.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).