1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine

C18H21FN2 — CID 141484890

IUPAC1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine
SMILESCC1CN(Cc2ccccc2)CC(c2ccc(F)cc2)N1
InChIInChI=1S/C18H21FN2/c1-14-11-21(12-15-5-3-2-4-6-15)13-18(20-14)16-7-9-17(19)10-8-16/h2-10,14,18,20H,11-13H2,1H3
InChIKeyRSHHKGAXBDYFNC-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.36
Rot. Bonds3

About 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine

1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine (PubChem CID 141484890) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine
PubChem CID141484890
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine
SMILESCC1CN(Cc2ccccc2)CC(c2ccc(F)cc2)N1
InChIInChI=1S/C18H21FN2/c1-14-11-21(12-15-5-3-2-4-6-15)13-18(20-14)16-7-9-17(19)10-8-16/h2-10,14,18,20H,11-13H2,1H3
InChIKeyRSHHKGAXBDYFNC-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine (CID 141484890) is 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine is CC1CN(Cc2ccccc2)CC(c2ccc(F)cc2)N1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine?
The InChIKey is RSHHKGAXBDYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-11-21(12-15-5-3-2-4-6-15)13-18(20-14)16-7-9-17(19)10-8-16/h2-10,14,18,20H,11-13H2,1H3.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine?
1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)-5-methylpiperazine is sourced from PubChem (CID 141484890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).