2-[3-(hydroxymethyl)piperidin-1-yl]ethanol

C8H17NO2 — CID 11971344

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOCCN1CCCC(CO)C1
InChIInChI=1S/C8H17NO2/c10-5-4-9-3-1-2-8(6-9)7-11/h8,10-11H,1-7H2
InChIKeyVFSVQEBUBVGABB-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol

2-[3-(hydroxymethyl)piperidin-1-yl]ethanol (PubChem CID 11971344) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]ethanol
PubChem CID11971344
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOCCN1CCCC(CO)C1
InChIInChI=1S/C8H17NO2/c10-5-4-9-3-1-2-8(6-9)7-11/h8,10-11H,1-7H2
InChIKeyVFSVQEBUBVGABB-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol (CID 11971344) is 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol is OCCN1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol?
The InChIKey is VFSVQEBUBVGABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-5-4-9-3-1-2-8(6-9)7-11/h8,10-11H,1-7H2.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol?
2-[3-(hydroxymethyl)piperidin-1-yl]ethanol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 11971344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).