1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane

C17H25FN2O — CID 102877776

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCNCC23CCCCC3)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-21-15-6-5-14(16(18)11-15)12-20-10-9-19-13-17(20)7-3-2-4-8-17/h5-6,11,19H,2-4,7-10,12-13H2,1H3
InChIKeyBFHFFLDNFZMHJS-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.94
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 102877776) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID102877776
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCNCC23CCCCC3)c(F)c1
InChIInChI=1S/C17H25FN2O/c1-21-15-6-5-14(16(18)11-15)12-20-10-9-19-13-17(20)7-3-2-4-8-17/h5-6,11,19H,2-4,7-10,12-13H2,1H3
InChIKeyBFHFFLDNFZMHJS-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816
1-[(4-methoxy-3-nitrophenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933342
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
1-[(2-fluoro-4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 102877727
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 102877776) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane is COc1ccc(CN2CCNCC23CCCCC3)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is BFHFFLDNFZMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-15-6-5-14(16(18)11-15)12-20-10-9-19-13-17(20)7-3-2-4-8-17/h5-6,11,19H,2-4,7-10,12-13H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 102877776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).