1-[(5-fluoro-2-methylphenyl)methyl]piperazine

C12H17FN2 — CID 22975139

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C12H17FN2/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySJWSFXCZGCZUGO-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.54
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)methyl]piperazine

1-[(5-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 22975139) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID22975139
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C12H17FN2/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySJWSFXCZGCZUGO-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
1-[(2-methyl-5-methylsulfonylphenyl)methyl]piperazine
CID 117424869
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
1-[(2-methyl-5-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82498363

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine (CID 22975139) is 1-[(5-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine is Cc1ccc(F)cc1CN1CCNCC1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is SJWSFXCZGCZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
1-[(5-fluoro-2-methylphenyl)methyl]piperazine has a molecular weight of 208.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 22975139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).