[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol

C13H19FN2O2 — CID 114034636

IUPAC[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1CCN(c2ncc(F)cc2CO)CC1
InChIInChI=1S/C13H19FN2O2/c1-18-9-10-2-4-16(5-3-10)13-11(8-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyZVBOAABNRKALOC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds4

About [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol

[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol (PubChem CID 114034636) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
PubChem CID114034636
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
SMILESCOCC1CCN(c2ncc(F)cc2CO)CC1
InChIInChI=1S/C13H19FN2O2/c1-18-9-10-2-4-16(5-3-10)13-11(8-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyZVBOAABNRKALOC-UHFFFAOYSA-N
XLogP1.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol (CID 114034636) is [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol is COCC1CCN(c2ncc(F)cc2CO)CC1.
What is the InChIKey of [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
The InChIKey is ZVBOAABNRKALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-9-10-2-4-16(5-3-10)13-11(8-17)6-12(14)7-15-13/h6-7,10,17H,2-5,8-9H2,1H3.
What are the key properties of [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol?
[5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol has a molecular weight of 254.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 114034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).