[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C17H23F3N2O — CID 91921710

IUPAC[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccc(C(F)(F)F)cc2)CC12CCNCC2
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)14-3-1-13(2-4-14)9-22-10-15(11-23)16(12-22)5-7-21-8-6-16/h1-4,15,21,23H,5-12H2
InChIKeyXCSMLTUIBISFRZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.50
Rot. Bonds3

About [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921710) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921710
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccc(C(F)(F)F)cc2)CC12CCNCC2
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)14-3-1-13(2-4-14)9-22-10-15(11-23)16(12-22)5-7-21-8-6-16/h1-4,15,21,23H,5-12H2
InChIKeyXCSMLTUIBISFRZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921710) is [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(Cc2ccc(C(F)(F)F)cc2)CC12CCNCC2.
What is the InChIKey of [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is XCSMLTUIBISFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)14-3-1-13(2-4-14)9-22-10-15(11-23)16(12-22)5-7-21-8-6-16/h1-4,15,21,23H,5-12H2.
What are the key properties of [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 328.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).