3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride

C18H22ClFN2O2 — CID 120768575

IUPAC3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1c(O)cccc1CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-18-14(5-3-7-17(18)22)12-21-9-8-20-11-16(21)13-4-2-6-15(19)10-13;/h2-7,10,16,20,22H,8-9,11-12H2,1H3;1H
InChIKeyIJSZPUXRVVYTNX-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.11
Rot. Bonds4

About 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride (PubChem CID 120768575) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
PubChem CID120768575
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1c(O)cccc1CN1CCNCC1c1cccc(F)c1.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-18-14(5-3-7-17(18)22)12-21-9-8-20-11-16(21)13-4-2-6-15(19)10-13;/h2-7,10,16,20,22H,8-9,11-12H2,1H3;1H
InChIKeyIJSZPUXRVVYTNX-UHFFFAOYSA-N
XLogP3.11
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
methyl 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 120768634
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride (CID 120768575) is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride is COc1c(O)cccc1CN1CCNCC1c1cccc(F)c1.Cl.
What is the InChIKey of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is IJSZPUXRVVYTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-23-18-14(5-3-7-17(18)22)12-21-9-8-20-11-16(21)13-4-2-6-15(19)10-13;/h2-7,10,16,20,22H,8-9,11-12H2,1H3;1H.
What are the key properties of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride?
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 120768575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).