1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H25FN2O2 — CID 91925035

IUPAC1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O2/c1-14(23)21-11-16(12-22)18(13-21)6-8-20(9-7-18)10-15-2-4-17(19)5-3-15/h2-5,16,22H,6-13H2,1H3
InChIKeyVHDCCPXDDDSJOT-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.88
Rot. Bonds3

About 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91925035) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91925035
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H25FN2O2/c1-14(23)21-11-16(12-22)18(13-21)6-8-20(9-7-18)10-15-2-4-17(19)5-3-15/h2-5,16,22H,6-13H2,1H3
InChIKeyVHDCCPXDDDSJOT-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91925035) is 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC(CO)C2(CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is VHDCCPXDDDSJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14(23)21-11-16(12-22)18(13-21)6-8-20(9-7-18)10-15-2-4-17(19)5-3-15/h2-5,16,22H,6-13H2,1H3.
What are the key properties of 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).