4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C18H26ClF3N2O2 — CID 146065931

IUPAC4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOCC1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCNCC2.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-2-4-16(5-3-14)25-18(19,20)21;/h2-5,15,22H,6-13H2,1H3;1H
InChIKeyZGIBAJWOPUDTKI-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.45
Rot. Bonds5

About 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 146065931) has the molecular formula C18H26ClF3N2O2 and a molecular weight of 394.87 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID146065931
Molecular FormulaC18H26ClF3N2O2
Molecular Weight394.87 g/mol
Exact Mass394.16
IUPAC Name4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOCC1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCNCC2.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-2-4-16(5-3-14)25-18(19,20)21;/h2-5,15,22H,6-13H2,1H3;1H
InChIKeyZGIBAJWOPUDTKI-UHFFFAOYSA-N
XLogP3.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 146065931) is 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COCC1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCNCC2.Cl.
What is the InChIKey of 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is ZGIBAJWOPUDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2.ClH/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-2-4-16(5-3-14)25-18(19,20)21;/h2-5,15,22H,6-13H2,1H3;1H.
What are the key properties of 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 146065931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).