1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine

C14H20ClFN2O — CID 117462551

IUPAC1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(Cl)c(F)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H20ClFN2O/c1-19-10-11-8-12(14(16)13(15)9-11)2-5-18-6-3-17-4-7-18/h8-9,17H,2-7,10H2,1H3
InChIKeyIBZZUKHHLAFQME-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine

1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine (PubChem CID 117462551) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
PubChem CID117462551
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(Cl)c(F)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H20ClFN2O/c1-19-10-11-8-12(14(16)13(15)9-11)2-5-18-6-3-17-4-7-18/h8-9,17H,2-7,10H2,1H3
InChIKeyIBZZUKHHLAFQME-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460
1-[(3-chloro-5-ethyl-2-fluorophenyl)methyl]piperazine
CID 117395459
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butan-1-amine
CID 117366823
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[(3-chloro-2-fluoro-5-methoxyphenyl)methyl]piperazine
CID 117400621
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine (CID 117462551) is 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine is COCc1cc(Cl)c(F)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine?
The InChIKey is IBZZUKHHLAFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-19-10-11-8-12(14(16)13(15)9-11)2-5-18-6-3-17-4-7-18/h8-9,17H,2-7,10H2,1H3.
What are the key properties of 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine?
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine has a molecular weight of 286.78 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).