3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride

C15H20ClFN4O — CID 120912083

IUPAC3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(O)cc(F)c1
InChIInChI=1S/C15H19FN4O.ClH/c1-19-4-3-18-15(19)14-9-17-2-5-20(14)10-11-6-12(16)8-13(21)7-11;/h3-4,6-8,14,17,21H,2,5,9-10H2,1H3;1H
InChIKeyDAVVEVFWVQUNAA-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.83
Rot. Bonds3

About 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride

3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride (PubChem CID 120912083) has the molecular formula C15H20ClFN4O and a molecular weight of 326.80 g/mol. Its IUPAC name is 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
PubChem CID120912083
Molecular FormulaC15H20ClFN4O
Molecular Weight326.80 g/mol
Exact Mass326.13
IUPAC Name3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(O)cc(F)c1
InChIInChI=1S/C15H19FN4O.ClH/c1-19-4-3-18-15(19)14-9-17-2-5-20(14)10-11-6-12(16)8-13(21)7-11;/h3-4,6-8,14,17,21H,2,5,9-10H2,1H3;1H
InChIKeyDAVVEVFWVQUNAA-UHFFFAOYSA-N
XLogP1.83
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;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

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
CID 120912179

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride?
The IUPAC name of 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride (CID 120912083) is 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride.
What is the SMILES notation for 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride?
The canonical SMILES for 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride?
The InChIKey is DAVVEVFWVQUNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.ClH/c1-19-4-3-18-15(19)14-9-17-2-5-20(14)10-11-6-12(16)8-13(21)7-11;/h3-4,6-8,14,17,21H,2,5,9-10H2,1H3;1H.
What are the key properties of 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride?
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride is sourced from PubChem (CID 120912083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).