1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine

C12H16ClFN2 — CID 131320342

IUPAC1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3/t9-/m1/s1
InChIKeyIVXJAKJREKJWTM-SECBINFHSA-N
MW242.72 g/mol
LogP2.45
Rot. Bonds2

About 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine

1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine (PubChem CID 131320342) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
PubChem CID131320342
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3/t9-/m1/s1
InChIKeyIVXJAKJREKJWTM-SECBINFHSA-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-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171297795
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
2-chloro-3-fluoro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300275
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102
1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
CID 171289338
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine (CID 131320342) is 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine is C[C@H](c1ccc(Cl)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine?
The InChIKey is IVXJAKJREKJWTM-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine?
1-[(1R)-1-(4-chloro-2-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-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 131320342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).