1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine

C13H18F2N2 — CID 171182419

IUPAC1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyDFISJCMQMXVHBH-ZDUSSCGKSA-N
MW240.30 g/mol
LogP2.05
Rot. Bonds3

About 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine

1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine (PubChem CID 171182419) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
PubChem CID171182419
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c([C@H](CF)N2CCNCC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyDFISJCMQMXVHBH-ZDUSSCGKSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-1-(2-fluoro-5-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171289562
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288255
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
1-[(1S)-2,2-difluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171289543
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine (CID 171182419) is 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine is Cc1ccc(F)c([C@H](CF)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine?
The InChIKey is DFISJCMQMXVHBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10-2-3-12(15)11(8-10)13(9-14)17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine?
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 171182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).