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

C19H23FN2 — CID 763845

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H23FN2/c1-15-3-4-17(16(2)13-15)14-21-9-11-22(12-10-21)19-7-5-18(20)6-8-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLDTXHSXRDQSUGN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.76
Rot. Bonds3

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

1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 763845) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID763845
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H23FN2/c1-15-3-4-17(16(2)13-15)14-21-9-11-22(12-10-21)19-7-5-18(20)6-8-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLDTXHSXRDQSUGN-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

Mianserin
CID 4184
Bamipine
CID 72075
Mianserin Hydrochloride
CID 68551
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
Phenbenzamine
CID 13751
Phenbenzamine hydrochloride
CID 24180706
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
CID 3085244
1-Benzyl-4-phenylpiperazine
CID 511484
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bR)-
CID 154412
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
(4-Tert-butylphenyl)(4-phenylpiperazin-1-yl)methanethione
CID 755396

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 763845) is 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine is Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is LDTXHSXRDQSUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-3-4-17(16(2)13-15)14-21-9-11-22(12-10-21)19-7-5-18(20)6-8-19/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)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-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 763845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).