6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane

C17H25NO3 — CID 97159672

IUPAC6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
SMILESCOc1cc(CN2CCC3(CCC3)C2)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-19-14-9-13(10-15(20-2)16(14)21-3)11-18-8-7-17(12-18)5-4-6-17/h9-10H,4-8,11-12H2,1-3H3
InChIKeyFCSDWMKXKUHSRB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds5

About 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane

6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane (PubChem CID 97159672) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
PubChem CID97159672
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane
SMILESCOc1cc(CN2CCC3(CCC3)C2)cc(OC)c1OC
InChIInChI=1S/C17H25NO3/c1-19-14-9-13(10-15(20-2)16(14)21-3)11-18-8-7-17(12-18)5-4-6-17/h9-10H,4-8,11-12H2,1-3H3
InChIKeyFCSDWMKXKUHSRB-UHFFFAOYSA-N
XLogP3.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
9-benzyl-2-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 170587596
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 95227016
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907704
2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45246733
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane?
The IUPAC name of 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane (CID 97159672) is 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane?
The canonical SMILES for 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane is COc1cc(CN2CCC3(CCC3)C2)cc(OC)c1OC.
What is the InChIKey of 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane?
The InChIKey is FCSDWMKXKUHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-14-9-13(10-15(20-2)16(14)21-3)11-18-8-7-17(12-18)5-4-6-17/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane?
6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane has a molecular weight of 291.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4,5-trimethoxyphenyl)methyl]-6-azaspiro[3.4]octane is sourced from PubChem (CID 97159672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).