[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H17FN2O2 — CID 828820

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyTZPQHPRIXUEYFE-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.38
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 828820) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID828820
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyTZPQHPRIXUEYFE-UHFFFAOYSA-N
XLogP2.38
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 828820) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is TZPQHPRIXUEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 828820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).