1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine

C14H21FN2 — CID 64937698

IUPAC1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(CCc2cccc(F)c2)C(C)CN1
InChIInChI=1S/C14H21FN2/c1-11-10-17(12(2)9-16-11)7-6-13-4-3-5-14(15)8-13/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3
InChIKeyGYZMZKRVQASVAQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine

1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64937698) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine
PubChem CID64937698
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(CCc2cccc(F)c2)C(C)CN1
InChIInChI=1S/C14H21FN2/c1-11-10-17(12(2)9-16-11)7-6-13-4-3-5-14(15)8-13/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3
InChIKeyGYZMZKRVQASVAQ-UHFFFAOYSA-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 ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-fluorophenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925729
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64934070
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
CID 120906011
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120905856
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine (CID 64937698) is 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine is CC1CN(CCc2cccc(F)c2)C(C)CN1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is GYZMZKRVQASVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-10-17(12(2)9-16-11)7-6-13-4-3-5-14(15)8-13/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
1-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 236.33 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-[2-(3-fluorophenyl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64937698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).