1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine

C14H20ClFN2 — CID 117430146

IUPAC1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)c1ccc(CCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-11(16)13-3-2-12(14(15)10-13)4-7-18-8-5-17-6-9-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyKFZWWOZHNGXNJW-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine

1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine (PubChem CID 117430146) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
PubChem CID117430146
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)c1ccc(CCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-11(16)13-3-2-12(14(15)10-13)4-7-18-8-5-17-6-9-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyKFZWWOZHNGXNJW-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-chloro-4-(1-fluoroethyl)phenyl]methyl]piperazine
CID 117395462
1-[2-(2-chloro-4-nitrophenyl)ethyl]piperazine
CID 174561266
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117492854

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine (CID 117430146) is 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine is CC(F)c1ccc(CCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine?
The InChIKey is KFZWWOZHNGXNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-11(16)13-3-2-12(14(15)10-13)4-7-18-8-5-17-6-9-18/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine?
1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine has a molecular weight of 270.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117430146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).