1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine

C12H16ClFN2 — CID 61057488

IUPAC1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
SMILESCC(c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDNPVYKQWCZCQNK-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.45
Rot. Bonds2

About 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine

1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine (PubChem CID 61057488) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
PubChem CID61057488
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
SMILESCC(c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDNPVYKQWCZCQNK-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171166411
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
CID 66202018
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171274947
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine (CID 61057488) is 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine is CC(c1ccc(F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine?
The InChIKey is DNPVYKQWCZCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)10-2-3-12(14)11(13)8-10/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine?
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine has a molecular weight of 242.72 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 61057488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).