1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride

C17H26ClFN2O — CID 119933207

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
SMILESCOc1ccc(CN2CCNCC23CCCCC3)cc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-21-16-6-5-14(11-15(16)18)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;1H
InChIKeyBQQUITLPYOXERZ-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.36
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride

1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride (PubChem CID 119933207) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
PubChem CID119933207
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
SMILESCOc1ccc(CN2CCNCC23CCCCC3)cc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-21-16-6-5-14(11-15(16)18)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;1H
InChIKeyBQQUITLPYOXERZ-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride 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

6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
1-[(4-methoxy-3-nitrophenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933342
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933584
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64844438
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
(5R)-9-benzylsulfonyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decane
CID 97408742
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride (CID 119933207) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride is COc1ccc(CN2CCNCC23CCCCC3)cc1F.Cl.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
The InChIKey is BQQUITLPYOXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-21-16-6-5-14(11-15(16)18)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;1H.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride?
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 119933207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).