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

C16H21FN2O2 — CID 6469370

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-5-2-1-4-13(14)12-18-7-9-19(10-8-18)16(20)15-6-3-11-21-15/h1-2,4-5,15H,3,6-12H2
InChIKeyURIPSUYTARSASS-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.65
Rot. Bonds3

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

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6469370) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6469370
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O2/c17-14-5-2-1-4-13(14)12-18-7-9-19(10-8-18)16(20)15-6-3-11-21-15/h1-2,4-5,15H,3,6-12H2
InChIKeyURIPSUYTARSASS-UHFFFAOYSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 6469370) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is URIPSUYTARSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-5-2-1-4-13(14)12-18-7-9-19(10-8-18)16(20)15-6-3-11-21-15/h1-2,4-5,15H,3,6-12H2.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 292.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6469370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).