1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol

C16H23NO3 — CID 78989187

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-15(18,14-5-3-2-4-6-14)13-17-9-7-16(8-10-17)19-11-12-20-16/h2-6,18H,7-13H2,1H3
InChIKeyHGKHGGWJBOAPGF-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.73
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol (PubChem CID 78989187) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
PubChem CID78989187
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-15(18,14-5-3-2-4-6-14)13-17-9-7-16(8-10-17)19-11-12-20-16/h2-6,18H,7-13H2,1H3
InChIKeyHGKHGGWJBOAPGF-UHFFFAOYSA-N
XLogP1.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol (CID 78989187) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol is CC(O)(CN1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol?
The InChIKey is HGKHGGWJBOAPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(18,14-5-3-2-4-6-14)13-17-9-7-16(8-10-17)19-11-12-20-16/h2-6,18H,7-13H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 78989187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).