[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol

C15H23FN4O — CID 118162492

IUPAC[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESCCN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)13-9-20(10-13)15-14(16)4-3-12(11-21)17-15/h3-4,13,21H,2,5-11H2,1H3
InChIKeyKOUGUTUNNBFKER-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.54
Rot. Bonds4

About [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol

[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol (PubChem CID 118162492) 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]-5-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
PubChem CID118162492
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESCCN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1
InChIInChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)13-9-20(10-13)15-14(16)4-3-12(11-21)17-15/h3-4,13,21H,2,5-11H2,1H3
InChIKeyKOUGUTUNNBFKER-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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Related Compounds

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CID 137992408
CID 21298822
CID 21298822
CID 58106831
CID 58106831
CID 70869728
CID 70869728
CID 71210060
CID 71210060
CID 89606881
CID 89606881
CID 118162414
CID 118162414
CID 118162454
CID 118162454

Frequently Asked Questions

What is the IUPAC name of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol (CID 118162492) is [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol is CCN1CCN(C2CN(c3nc(CO)ccc3F)C2)CC1.
What is the InChIKey of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
The InChIKey is KOUGUTUNNBFKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-18-5-7-19(8-6-18)13-9-20(10-13)15-14(16)4-3-12(11-21)17-15/h3-4,13,21H,2,5-11H2,1H3.
What are the key properties of [6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methanol?
[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-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]-5-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 118162492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).