1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine

C14H21FN2 — CID 882893

IUPAC1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3
InChIKeySPOGRIJAQWZVBH-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.35
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine

1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 882893) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID882893
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3
InChIKeySPOGRIJAQWZVBH-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine (CID 882893) is 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is SPOGRIJAQWZVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine?
1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 882893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).