4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane

C16H23NO2 — CID 86820394

IUPAC4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESc1ccc(COC2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-14(5-3-1)13-18-15-6-11-19-16(12-15)7-9-17-10-8-16/h1-5,15,17H,6-13H2
InChIKeyPTTUPMVBPBPMRO-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.50
Rot. Bonds3

About 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane

4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 86820394) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID86820394
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESc1ccc(COC2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-14(5-3-1)13-18-15-6-11-19-16(12-15)7-9-17-10-8-16/h1-5,15,17H,6-13H2
InChIKeyPTTUPMVBPBPMRO-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane (CID 86820394) is 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane is c1ccc(COC2CCOC3(CCNCC3)C2)cc1.
What is the InChIKey of 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is PTTUPMVBPBPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-4-14(5-3-1)13-18-15-6-11-19-16(12-15)7-9-17-10-8-16/h1-5,15,17H,6-13H2.
What are the key properties of 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane?
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 261.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 86820394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).