(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

C15H20FNO2 — CID 110156016

IUPAC(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C15H20FNO2/c16-13-4-2-12(3-5-13)10-17-8-7-15(14(18)11-17)6-1-9-19-15/h2-5,14,18H,1,6-11H2/t14-,15-/m0/s1
InChIKeyITLBJIREHHECIL-GJZGRUSLSA-N
MW265.33 g/mol
LogP1.94
Rot. Bonds2

About (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110156016) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110156016
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2
InChIInChI=1S/C15H20FNO2/c16-13-4-2-12(3-5-13)10-17-8-7-15(14(18)11-17)6-1-9-19-15/h2-5,14,18H,1,6-11H2/t14-,15-/m0/s1
InChIKeyITLBJIREHHECIL-GJZGRUSLSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159623
(5S,6S)-8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156761
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 110156796
(5S,6S)-8-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156656
(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155900
(5S,6S)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155828
(5S,6S)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155818
(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
4-(4-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 72926830
3-(4-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156871
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110156016) is (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is ITLBJIREHHECIL-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-4-2-12(3-5-13)10-17-8-7-15(14(18)11-17)6-1-9-19-15/h2-5,14,18H,1,6-11H2/t14-,15-/m0/s1.
What are the key properties of (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 265.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110156016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).