1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine

C12H16ClFN2 — CID 131476591

IUPAC1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9H2/t12-/m0/s1
InChIKeyAQEAAECKQKBMAZ-LBPRGKRZSA-N
MW242.72 g/mol
LogP2.26
Rot. Bonds3

About 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine

1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine (PubChem CID 131476591) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
PubChem CID131476591
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9H2/t12-/m0/s1
InChIKeyAQEAAECKQKBMAZ-LBPRGKRZSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
CID 174747780
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182007
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171294206
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182448

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine (CID 131476591) is 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine is FC[C@@H](c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine?
The InChIKey is AQEAAECKQKBMAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-9H2/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine?
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine has a molecular weight of 242.72 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 131476591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).