9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane

C18H34N2O2 — CID 56896311

IUPAC9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCCN1CCC(CN2CCC3(CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-21-15-12-19-8-2-17(3-9-19)16-20-10-4-18(5-11-20)6-13-22-14-7-18/h17H,2-16H2,1H3
InChIKeyXZHJFUHQSZYSAS-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.24
Rot. Bonds5

About 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane

9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 56896311) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID56896311
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCCN1CCC(CN2CCC3(CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-21-15-12-19-8-2-17(3-9-19)16-20-10-4-18(5-11-20)6-13-22-14-7-18/h17H,2-16H2,1H3
InChIKeyXZHJFUHQSZYSAS-UHFFFAOYSA-N
XLogP2.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane;propane
CID 177319194

Frequently Asked Questions

What is the IUPAC name of 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 56896311) is 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane is COCCN1CCC(CN2CCC3(CCOCC3)CC2)CC1.
What is the InChIKey of 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is XZHJFUHQSZYSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-21-15-12-19-8-2-17(3-9-19)16-20-10-4-18(5-11-20)6-13-22-14-7-18/h17H,2-16H2,1H3.
What are the key properties of 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 310.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 56896311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).