1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine

C14H21FN2 — CID 122520466

IUPAC1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-3-16-6-8-17(9-7-16)11-13-5-4-12(2)14(15)10-13/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyYNUGYVRMRJCRBC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.27
Rot. Bonds3

About 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine

1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine (PubChem CID 122520466) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
PubChem CID122520466
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-3-16-6-8-17(9-7-16)11-13-5-4-12(2)14(15)10-13/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyYNUGYVRMRJCRBC-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064522
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
(3S,9R)-11-[(3-fluoro-4-methylphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56854982
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one
CID 42366284
2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 115280835
1-[(3-fluoro-4-methylphenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 111847307

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine (CID 122520466) is 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine is CCN1CCN(Cc2ccc(C)c(F)c2)CC1.
What is the InChIKey of 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine?
The InChIKey is YNUGYVRMRJCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-16-6-8-17(9-7-16)11-13-5-4-12(2)14(15)10-13/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine?
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 122520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).