1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride

C19H24Cl3FN2O — CID 67327803

IUPAC1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(CN2CCNCC2)ccc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O.2ClH/c20-17-3-5-18(6-4-17)24-12-7-16-2-1-15(13-19(16)21)14-23-10-8-22-9-11-23;;/h1-6,13,22H,7-12,14H2;2*1H
InChIKeyUOODDILPNLSLEY-UHFFFAOYSA-N
MW421.77 g/mol
LogP4.35
Rot. Bonds6

About 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride

1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride (PubChem CID 67327803) has the molecular formula C19H24Cl3FN2O and a molecular weight of 421.77 g/mol. Its IUPAC name is 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
PubChem CID67327803
Molecular FormulaC19H24Cl3FN2O
Molecular Weight421.77 g/mol
Exact Mass420.09
IUPAC Name1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(CN2CCNCC2)ccc1CCOc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O.2ClH/c20-17-3-5-18(6-4-17)24-12-7-16-2-1-15(13-19(16)21)14-23-10-8-22-9-11-23;;/h1-6,13,22H,7-12,14H2;2*1H
InChIKeyUOODDILPNLSLEY-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328025
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(4-pent-4-ynoxyphenyl)methyl]piperazine
CID 175666917
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
CID 118310188
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride (CID 67327803) is 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(CN2CCNCC2)ccc1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride?
The InChIKey is UOODDILPNLSLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O.2ClH/c20-17-3-5-18(6-4-17)24-12-7-16-2-1-15(13-19(16)21)14-23-10-8-22-9-11-23;;/h1-6,13,22H,7-12,14H2;2*1H.
What are the key properties of 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride?
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride has a molecular weight of 421.77 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 67327803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).