[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H27F3N2O2 — CID 91921817

IUPAC[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cc(F)c(F)cc3F)CC2)C1
InChIInChI=1S/C19H27F3N2O2/c1-26-7-6-24-11-15(12-25)19(13-24)2-4-23(5-3-19)10-14-8-17(21)18(22)9-16(14)20/h8-9,15,25H,2-7,10-13H2,1H3
InChIKeyKTXDTFVTWYPALV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.26
Rot. Bonds6

About [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921817) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921817
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cc(F)c(F)cc3F)CC2)C1
InChIInChI=1S/C19H27F3N2O2/c1-26-7-6-24-11-15(12-25)19(13-24)2-4-23(5-3-19)10-14-8-17(21)18(22)9-16(14)20/h8-9,15,25H,2-7,10-13H2,1H3
InChIKeyKTXDTFVTWYPALV-UHFFFAOYSA-N
XLogP2.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921817) is [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3cc(F)c(F)cc3F)CC2)C1.
What is the InChIKey of [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is KTXDTFVTWYPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-26-7-6-24-11-15(12-25)19(13-24)2-4-23(5-3-19)10-14-8-17(21)18(22)9-16(14)20/h8-9,15,25H,2-7,10-13H2,1H3.
What are the key properties of [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 372.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).