1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride

C14H22ClFN2 — CID 171181724

IUPAC1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCc1ccc([C@@H](CF)N2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-11-3-4-13(9-12(11)2)14(10-15)17-7-5-16-6-8-17;/h3-4,9,14,16H,5-8,10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyRTBFZDFVDPIBQH-PFEQFJNWSA-N
MW272.79 g/mol
LogP2.64
Rot. Bonds3

About 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride

1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride (PubChem CID 171181724) has the molecular formula C14H22ClFN2 and a molecular weight of 272.79 g/mol. Its IUPAC name is 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
PubChem CID171181724
Molecular FormulaC14H22ClFN2
Molecular Weight272.79 g/mol
Exact Mass272.15
IUPAC Name1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
SMILESCc1ccc([C@@H](CF)N2CCNCC2)cc1C.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-11-3-4-13(9-12(11)2)14(10-15)17-7-5-16-6-8-17;/h3-4,9,14,16H,5-8,10H2,1-2H3;1H/t14-;/m1./s1
InChIKeyRTBFZDFVDPIBQH-PFEQFJNWSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1R)-1-(3-bromo-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182457
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
(3S)-3-(3,4-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305864
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1S)-2-fluoro-1-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 171182097
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride (CID 171181724) is 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride is Cc1ccc([C@@H](CF)N2CCNCC2)cc1C.Cl.
What is the InChIKey of 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
The InChIKey is RTBFZDFVDPIBQH-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H21FN2.ClH/c1-11-3-4-13(9-12(11)2)14(10-15)17-7-5-16-6-8-17;/h3-4,9,14,16H,5-8,10H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride?
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride has a molecular weight of 272.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171181724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).