[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol

C8H17NO2 — CID 174297211

IUPAC[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CCCC(CO)C1CO
InChIInChI=1S/C8H17NO2/c1-9-4-2-3-7(5-10)8(9)6-11/h7-8,10-11H,2-6H2,1H3
InChIKeyJAMQSIVYVHQVRW-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds2

About [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol

[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 174297211) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol
PubChem CID174297211
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CCCC(CO)C1CO
InChIInChI=1S/C8H17NO2/c1-9-4-2-3-7(5-10)8(9)6-11/h7-8,10-11H,2-6H2,1H3
InChIKeyJAMQSIVYVHQVRW-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol (CID 174297211) is [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol is CN1CCCC(CO)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is JAMQSIVYVHQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-4-2-3-7(5-10)8(9)6-11/h7-8,10-11H,2-6H2,1H3.
What are the key properties of [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol?
[2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 174297211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).