1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine

C18H21FN2 — CID 1377211

IUPAC1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN2/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3
InChIKeyMAEATYFTQCNFKC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine

1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 1377211) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine
PubChem CID1377211
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN2/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3
InChIKeyMAEATYFTQCNFKC-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine (CID 1377211) is 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is MAEATYFTQCNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 1377211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).