3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C19H26FNO2 — CID 134071196

IUPAC3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)c1
InChIInChI=1S/C19H26FNO2/c20-17-3-1-2-16(10-17)12-21-8-6-19(7-9-21)11-18(14-23-19)22-13-15-4-5-15/h1-3,10,15,18H,4-9,11-14H2
InChIKeyQHVDAMYWLFNPOC-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.38
Rot. Bonds5

About 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134071196) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID134071196
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)c1
InChIInChI=1S/C19H26FNO2/c20-17-3-1-2-16(10-17)12-21-8-6-19(7-9-21)11-18(14-23-19)22-13-15-4-5-15/h1-3,10,15,18H,4-9,11-14H2
InChIKeyQHVDAMYWLFNPOC-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 134071196) is 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is Fc1cccc(CN2CCC3(CC2)CC(OCC2CC2)CO3)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QHVDAMYWLFNPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-17-3-1-2-16(10-17)12-21-8-6-19(7-9-21)11-18(14-23-19)22-13-15-4-5-15/h1-3,10,15,18H,4-9,11-14H2.
What are the key properties of 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 319.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).