1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride

C18H22Cl2F2N2O — CID 67328025

IUPAC1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCc2ccc(CN3CCNCC3)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O.2ClH/c19-16-3-5-17(6-4-16)23-13-14-1-2-15(18(20)11-14)12-22-9-7-21-8-10-22;;/h1-6,11,21H,7-10,12-13H2;2*1H
InChIKeyPTFKSZQLABYIFW-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.79
Rot. Bonds5

About 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride

1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride (PubChem CID 67328025) has the molecular formula C18H22Cl2F2N2O and a molecular weight of 391.29 g/mol. Its IUPAC name is 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
PubChem CID67328025
Molecular FormulaC18H22Cl2F2N2O
Molecular Weight391.29 g/mol
Exact Mass390.11
IUPAC Name1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCc2ccc(CN3CCNCC3)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O.2ClH/c19-16-3-5-17(6-4-16)23-13-14-1-2-15(18(20)11-14)12-22-9-7-21-8-10-22;;/h1-6,11,21H,7-10,12-13H2;2*1H
InChIKeyPTFKSZQLABYIFW-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
CID 118310188
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172813583
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 157163231

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride (CID 67328025) is 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(OCc2ccc(CN3CCNCC3)c(F)c2)cc1.
What is the InChIKey of 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is PTFKSZQLABYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O.2ClH/c19-16-3-5-17(6-4-16)23-13-14-1-2-15(18(20)11-14)12-22-9-7-21-8-10-22;;/h1-6,11,21H,7-10,12-13H2;2*1H.
What are the key properties of 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride?
1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 391.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 67328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).