2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride

C23H26Cl2FN3O — CID 120756562

IUPAC2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(C2CNCCN2Cc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24FN3O.2ClH/c24-21-5-1-4-20(13-21)23-15-26-11-12-27(23)16-18-6-8-22(9-7-18)28-17-19-3-2-10-25-14-19;;/h1-10,13-14,23,26H,11-12,15-17H2;2*1H
InChIKeyBAXYIQKAJVJTOI-UHFFFAOYSA-N
MW450.39 g/mol
LogP4.79
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride

2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 120756562) has the molecular formula C23H26Cl2FN3O and a molecular weight of 450.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
PubChem CID120756562
Molecular FormulaC23H26Cl2FN3O
Molecular Weight450.39 g/mol
Exact Mass449.14
IUPAC Name2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(C2CNCCN2Cc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C23H24FN3O.2ClH/c24-21-5-1-4-20(13-21)23-15-26-11-12-27(23)16-18-6-8-22(9-7-18)28-17-19-3-2-10-25-14-19;;/h1-10,13-14,23,26H,11-12,15-17H2;2*1H
InChIKeyBAXYIQKAJVJTOI-UHFFFAOYSA-N
XLogP4.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754417
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 120756562) is 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc(C2CNCCN2Cc2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is BAXYIQKAJVJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O.2ClH/c24-21-5-1-4-20(13-21)23-15-26-11-12-27(23)16-18-6-8-22(9-7-18)28-17-19-3-2-10-25-14-19;;/h1-10,13-14,23,26H,11-12,15-17H2;2*1H.
What are the key properties of 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride?
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 450.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 120756562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).