1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride

C13H20ClFN2 — CID 119924252

IUPAC1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(C(C)c2ccccc2F)CCN1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-10-9-16(8-7-15-10)11(2)12-5-3-4-6-13(12)14;/h3-6,10-11,15H,7-9H2,1-2H3;1H
InChIKeyJTWYJHVHPIRNIH-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.60
Rot. Bonds2

About 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride

1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride (PubChem CID 119924252) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
PubChem CID119924252
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
SMILESCC1CN(C(C)c2ccccc2F)CCN1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-10-9-16(8-7-15-10)11(2)12-5-3-4-6-13(12)14;/h3-6,10-11,15H,7-9H2,1-2H3;1H
InChIKeyJTWYJHVHPIRNIH-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 64943840
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
2-[1-(2-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986474
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine
CID 71216462

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride (CID 119924252) is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride is CC1CN(C(C)c2ccccc2F)CCN1.Cl.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride?
The InChIKey is JTWYJHVHPIRNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c1-10-9-16(8-7-15-10)11(2)12-5-3-4-6-13(12)14;/h3-6,10-11,15H,7-9H2,1-2H3;1H.
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride?
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119924252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).