1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine

C19H22ClFN2O — CID 3748492

IUPAC1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
SMILESCCOc1ccc(Cl)cc1C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C19H22ClFN2O/c1-2-24-18-8-5-15(20)13-17(18)19(23-11-9-22-10-12-23)14-3-6-16(21)7-4-14/h3-8,13,19,22H,2,9-12H2,1H3
InChIKeyGSTBANJVOBXCHX-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.87
Rot. Bonds5

About 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine

1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine (PubChem CID 3748492) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
PubChem CID3748492
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
SMILESCCOc1ccc(Cl)cc1C(c1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C19H22ClFN2O/c1-2-24-18-8-5-15(20)13-17(18)19(23-11-9-22-10-12-23)14-3-6-16(21)7-4-14/h3-8,13,19,22H,2,9-12H2,1H3
InChIKeyGSTBANJVOBXCHX-UHFFFAOYSA-N
XLogP3.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(S)-(5-bromo-2-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171278489
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(3,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5216730

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine (CID 3748492) is 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine is CCOc1ccc(Cl)cc1C(c1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine?
The InChIKey is GSTBANJVOBXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-2-24-18-8-5-15(20)13-17(18)19(23-11-9-22-10-12-23)14-3-6-16(21)7-4-14/h3-8,13,19,22H,2,9-12H2,1H3.
What are the key properties of 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine?
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine has a molecular weight of 348.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3748492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).