[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol

C15H23FN4O — CID 172828262

IUPAC[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol
SMILESCCN1CCN(C2CN(c3ccc(F)c(CO)n3)C2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)12-9-20(10-12)15-4-3-13(16)14(11-21)17-15/h3-4,12,21H,2,5-11H2,1H3
InChIKeyVEAMIYXLASVBSG-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.54
Rot. Bonds4

About [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol

[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol (PubChem CID 172828262) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol
PubChem CID172828262
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol
SMILESCCN1CCN(C2CN(c3ccc(F)c(CO)n3)C2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)12-9-20(10-12)15-4-3-13(16)14(11-21)17-15/h3-4,12,21H,2,5-11H2,1H3
InChIKeyVEAMIYXLASVBSG-UHFFFAOYSA-N
XLogP0.54
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol (CID 172828262) is [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol is CCN1CCN(C2CN(c3ccc(F)c(CO)n3)C2)CC1.
What is the InChIKey of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol?
The InChIKey is VEAMIYXLASVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)12-9-20(10-12)15-4-3-13(16)14(11-21)17-15/h3-4,12,21H,2,5-11H2,1H3.
What are the key properties of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol?
[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol has a molecular weight of 294.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 172828262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).