1-[(2-fluorophenyl)methyl]-4-methylpiperazine

C12H17FN2 — CID 754142

IUPAC1-[(2-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyFPSSOSDLJGHUJK-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.57
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-4-methylpiperazine

1-[(2-fluorophenyl)methyl]-4-methylpiperazine (PubChem CID 754142) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-methylpiperazine
PubChem CID754142
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[(2-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyFPSSOSDLJGHUJK-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
Flunarizine
CID 941361
Benzyltrimethylammonium chloride
CID 5963
N,N-Dimethylbenzylamine
CID 7681
Benzyltrimethylammonium hydroxide
CID 66854
1-Benzylpiperazine
CID 75994
Piperidine, 1-(2-phenylethyl)-
CID 9513
Cyclizine Hydrochloride
CID 6420019
Benzyl triethylammonium chloride
CID 66133
1,4-Dibenzylpiperazine
CID 200601
Cetalkonium
CID 31203
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methylpiperazine (CID 754142) is 1-[(2-fluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is FPSSOSDLJGHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-methylpiperazine?
1-[(2-fluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 754142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).