1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride

C14H22ClFN2 — CID 120906434

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCc1ccc(CN2CC(C)NCC2C)cc1F.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-10-4-5-13(6-14(10)15)9-17-8-11(2)16-7-12(17)3;/h4-6,11-12,16H,7-9H2,1-3H3;1H
InChIKeyOGXWTTRUEFCQSL-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.74
Rot. Bonds2

About 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride

1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120906434) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
PubChem CID120906434
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
SMILESCc1ccc(CN2CC(C)NCC2C)cc1F.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-10-4-5-13(6-14(10)15)9-17-8-11(2)16-7-12(17)3;/h4-6,11-12,16H,7-9H2,1-3H3;1H
InChIKeyOGXWTTRUEFCQSL-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
CID 120906202
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
2-(2,5-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 64980832
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120905856
2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 64978933
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906285

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride (CID 120906434) is 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride is Cc1ccc(CN2CC(C)NCC2C)cc1F.Cl.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is OGXWTTRUEFCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.ClH/c1-10-4-5-13(6-14(10)15)9-17-8-11(2)16-7-12(17)3;/h4-6,11-12,16H,7-9H2,1-3H3;1H.
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride?
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120906434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).