1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine

C19H23FN2 — CID 792667

IUPAC1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3cccc(F)c3)CC2)c1C
InChIInChI=1S/C19H23FN2/c1-15-5-3-8-19(16(15)2)22-11-9-21(10-12-22)14-17-6-4-7-18(20)13-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeySGWCXOUACVNEND-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine

1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 792667) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID792667
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3cccc(F)c3)CC2)c1C
InChIInChI=1S/C19H23FN2/c1-15-5-3-8-19(16(15)2)22-11-9-21(10-12-22)14-17-6-4-7-18(20)13-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeySGWCXOUACVNEND-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4184
Nomifensine
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Bamipine
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Mianserin Hydrochloride
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Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
LY-165163
CID 121930
1-(1-Naphthyl)piperazine
CID 1342
Phenbenzamine
CID 13751
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
Phenbenzamine hydrochloride
CID 24180706
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine (CID 792667) is 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine is Cc1cccc(N2CCN(Cc3cccc(F)c3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is SGWCXOUACVNEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-5-3-8-19(16(15)2)22-11-9-21(10-12-22)14-17-6-4-7-18(20)13-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 792667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).