4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine

C19H26F3N3O — CID 139417528

IUPAC4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)17-11-16(25-7-9-26-10-8-25)2-1-15(17)12-24-6-4-18(14-24)3-5-23-13-18/h1-2,11,23H,3-10,12-14H2
InChIKeyOEIASWZCLRWVTI-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.73
Rot. Bonds3

About 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine

4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine (PubChem CID 139417528) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine
PubChem CID139417528
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)17-11-16(25-7-9-26-10-8-25)2-1-15(17)12-24-6-4-18(14-24)3-5-23-13-18/h1-2,11,23H,3-10,12-14H2
InChIKeyOEIASWZCLRWVTI-UHFFFAOYSA-N
XLogP2.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
(2,5-dihydroxypyrrol-1-yl) 2,2-dimethyl-4-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 123250718
2-[(2-bromo-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908668
2-[(5-bromo-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 83667778
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 71657501
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 71744391
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908041

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine (CID 139417528) is 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1cc(N2CCOCC2)ccc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is OEIASWZCLRWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c20-19(21,22)17-11-16(25-7-9-26-10-8-25)2-1-15(17)12-24-6-4-18(14-24)3-5-23-13-18/h1-2,11,23H,3-10,12-14H2.
What are the key properties of 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine?
4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 369.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 139417528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).