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

C13H19FN2 — CID 64931500

IUPAC1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1C(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-10-9-15-6-7-16(10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyREKIUSXZDZMQQR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds2

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

1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine (PubChem CID 64931500) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
PubChem CID64931500
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1C(C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-10-9-15-6-7-16(10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyREKIUSXZDZMQQR-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine
CID 11699676
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
1-[(R)-(3-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylpiperazine
CID 70840285
(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 162512220
5-fluoro-4-[(1R)-1-(3-fluorophenyl)ethoxy]-2-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 153406714
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine (CID 64931500) is 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine is CC1CNCCN1C(C)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine?
The InChIKey is REKIUSXZDZMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-9-15-6-7-16(10)11(2)12-4-3-5-13(14)8-12/h3-5,8,10-11,15H,6-7,9H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine?
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 64931500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).