1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one

C14H19FN2O2 — CID 562624

IUPAC1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one
SMILESO=C(C(F)CO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19FN2O2/c15-13(11-18)14(19)17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyQGLVLWISGANEMO-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.66
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one

1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one (PubChem CID 562624) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one
PubChem CID562624
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one
SMILESO=C(C(F)CO)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19FN2O2/c15-13(11-18)14(19)17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyQGLVLWISGANEMO-UHFFFAOYSA-N
XLogP0.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one (CID 562624) is 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one is O=C(C(F)CO)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one?
The InChIKey is QGLVLWISGANEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13(11-18)14(19)17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one?
1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-fluoro-3-hydroxypropan-1-one is sourced from PubChem (CID 562624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).