2-[2-(hydroxymethyl)piperidin-4-yl]ethanol

C8H17NO2 — CID 57310444

IUPAC2-[2-(hydroxymethyl)piperidin-4-yl]ethanol
SMILESOCCC1CCNC(CO)C1
InChIInChI=1S/C8H17NO2/c10-4-2-7-1-3-9-8(5-7)6-11/h7-11H,1-6H2
InChIKeyWRLLCALSZBXPJN-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds3

About 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol

2-[2-(hydroxymethyl)piperidin-4-yl]ethanol (PubChem CID 57310444) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-4-yl]ethanol
PubChem CID57310444
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[2-(hydroxymethyl)piperidin-4-yl]ethanol
SMILESOCCC1CCNC(CO)C1
InChIInChI=1S/C8H17NO2/c10-4-2-7-1-3-9-8(5-7)6-11/h7-11H,1-6H2
InChIKeyWRLLCALSZBXPJN-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol (CID 57310444) is 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol is OCCC1CCNC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol?
The InChIKey is WRLLCALSZBXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-4-2-7-1-3-9-8(5-7)6-11/h7-11H,1-6H2.
What are the key properties of 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol?
2-[2-(hydroxymethyl)piperidin-4-yl]ethanol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 57310444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).