7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane

C15H21NO2 — CID 97374489

IUPAC7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOc1cccc(CN2CCC3(CC2)COC3)c1
InChIInChI=1S/C15H21NO2/c1-17-14-4-2-3-13(9-14)10-16-7-5-15(6-8-16)11-18-12-15/h2-4,9H,5-8,10-12H2,1H3
InChIKeyRVBGERSUTGRQRW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds3

About 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane

7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 97374489) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID97374489
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCOc1cccc(CN2CCC3(CC2)COC3)c1
InChIInChI=1S/C15H21NO2/c1-17-14-4-2-3-13(9-14)10-16-7-5-15(6-8-16)11-18-12-15/h2-4,9H,5-8,10-12H2,1H3
InChIKeyRVBGERSUTGRQRW-UHFFFAOYSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155876656
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
(3S)-3-ethoxy-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418798

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane (CID 97374489) is 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane is COc1cccc(CN2CCC3(CC2)COC3)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is RVBGERSUTGRQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-4-2-3-13(9-14)10-16-7-5-15(6-8-16)11-18-12-15/h2-4,9H,5-8,10-12H2,1H3.
What are the key properties of 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 247.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97374489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).