1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine

C12H15ClF2N2 — CID 117406196

IUPAC1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
SMILESFc1cc(F)c(Cl)c(CCN2CCNCC2)c1
InChIInChI=1S/C12H15ClF2N2/c13-12-9(7-10(14)8-11(12)15)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6H2
InChIKeyXQWZCXPHMYWTLI-UHFFFAOYSA-N
MW260.71 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine

1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine (PubChem CID 117406196) has the molecular formula C12H15ClF2N2 and a molecular weight of 260.71 g/mol. Its IUPAC name is 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
PubChem CID117406196
Molecular FormulaC12H15ClF2N2
Molecular Weight260.71 g/mol
Exact Mass260.09
IUPAC Name1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine
SMILESFc1cc(F)c(Cl)c(CCN2CCNCC2)c1
InChIInChI=1S/C12H15ClF2N2/c13-12-9(7-10(14)8-11(12)15)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6H2
InChIKeyXQWZCXPHMYWTLI-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
CID 115006371
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
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-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine (CID 117406196) is 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine is Fc1cc(F)c(Cl)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine?
The InChIKey is XQWZCXPHMYWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2/c13-12-9(7-10(14)8-11(12)15)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6H2.
What are the key properties of 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine?
1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine has a molecular weight of 260.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-3,5-difluorophenyl)ethyl]piperazine is sourced from PubChem (CID 117406196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).