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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Related Compounds

4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
4,4-difluoro-3-(2-phenylethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 134141837
(3aS,5R,6R,7aR)-6-methoxy-N,N-dimethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 172670141
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736

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).