1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine

C21H26ClFN2O — CID 170863695

IUPAC1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCc3ccc(F)cc3Cl)cc2)CC1
InChIInChI=1S/C21H26ClFN2O/c1-24-11-13-25(14-12-24)10-2-3-17-4-8-20(9-5-17)26-16-18-6-7-19(23)15-21(18)22/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyUONYIJBOKPENPR-UHFFFAOYSA-N
MW376.90 g/mol
LogP4.24
Rot. Bonds7

About 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine

1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine (PubChem CID 170863695) has the molecular formula C21H26ClFN2O and a molecular weight of 376.90 g/mol. Its IUPAC name is 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
PubChem CID170863695
Molecular FormulaC21H26ClFN2O
Molecular Weight376.90 g/mol
Exact Mass376.17
IUPAC Name1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCc3ccc(F)cc3Cl)cc2)CC1
InChIInChI=1S/C21H26ClFN2O/c1-24-11-13-25(14-12-24)10-2-3-17-4-8-20(9-5-17)26-16-18-6-7-19(23)15-21(18)22/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyUONYIJBOKPENPR-UHFFFAOYSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.90
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863707
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863546
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine (CID 170863695) is 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2ccc(OCc3ccc(F)cc3Cl)cc2)CC1.
What is the InChIKey of 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The InChIKey is UONYIJBOKPENPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O/c1-24-11-13-25(14-12-24)10-2-3-17-4-8-20(9-5-17)26-16-18-6-7-19(23)15-21(18)22/h4-9,15H,2-3,10-14,16H2,1H3.
What are the key properties of 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine has a molecular weight of 376.90 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).