2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

C14H19FN2 — CID 82038611

IUPAC2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1cccc(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H19FN2/c15-13-3-1-2-12(8-13)9-17-7-5-14(11-17)4-6-16-10-14/h1-3,8,16H,4-7,9-11H2
InChIKeyUBTWKXLSWGPOTO-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.01
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 82038611) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID82038611
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1cccc(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C14H19FN2/c15-13-3-1-2-12(8-13)9-17-7-5-14(11-17)4-6-16-10-14/h1-3,8,16H,4-7,9-11H2
InChIKeyUBTWKXLSWGPOTO-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane 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

(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(4-fluoro-2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907656
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518
methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908185
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 82038611) is 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is Fc1cccc(CN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is UBTWKXLSWGPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-3-1-2-12(8-13)9-17-7-5-14(11-17)4-6-16-10-14/h1-3,8,16H,4-7,9-11H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 234.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).