1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine

C15H23FN2 — CID 64845681

IUPAC1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccccc1F
InChIInChI=1S/C15H23FN2/c1-3-6-14-9-17-12(2)10-18(14)11-13-7-4-5-8-15(13)16/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3
InChIKeyMXJVNCGCOGSBLH-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.79
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine

1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine (PubChem CID 64845681) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
PubChem CID64845681
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccccc1F
InChIInChI=1S/C15H23FN2/c1-3-6-14-9-17-12(2)10-18(14)11-13-7-4-5-8-15(13)16/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3
InChIKeyMXJVNCGCOGSBLH-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine (CID 64845681) is 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine is CCCC1CNC(C)CN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The InChIKey is MXJVNCGCOGSBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-6-14-9-17-12(2)10-18(14)11-13-7-4-5-8-15(13)16/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64845681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).