1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride

C13H19Cl2FN2 — CID 171182495

IUPAC1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CF)N2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2.ClH/c1-10-2-3-11(8-12(10)14)13(9-15)17-6-4-16-5-7-17;/h2-3,8,13,16H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyGRGHZXKZAACJTL-ZOWNYOTGSA-N
MW293.21 g/mol
LogP2.99
Rot. Bonds3

About 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride

1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride (PubChem CID 171182495) has the molecular formula C13H19Cl2FN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
PubChem CID171182495
Molecular FormulaC13H19Cl2FN2
Molecular Weight293.21 g/mol
Exact Mass292.09
IUPAC Name1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCc1ccc([C@H](CF)N2CCNCC2)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2.ClH/c1-10-2-3-11(8-12(10)14)13(9-15)17-6-4-16-5-7-17;/h2-3,8,13,16H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyGRGHZXKZAACJTL-ZOWNYOTGSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-1-(3-bromo-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182457
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171289842
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182448
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1R)-1-(4-chloro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172632
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride (CID 171182495) is 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride is Cc1ccc([C@H](CF)N2CCNCC2)cc1Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The InChIKey is GRGHZXKZAACJTL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H18ClFN2.ClH/c1-10-2-3-11(8-12(10)14)13(9-15)17-6-4-16-5-7-17;/h2-3,8,13,16H,4-7,9H2,1H3;1H/t13-;/m0./s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride has a molecular weight of 293.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).