1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol

C9H19NO2 — CID 130854824

IUPAC1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol
SMILESCC(CO)N1CC(O)CCC1C
InChIInChI=1S/C9H19NO2/c1-7-3-4-9(12)5-10(7)8(2)6-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKWDBGGWJAJBGSW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol

1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol (PubChem CID 130854824) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol
PubChem CID130854824
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol
SMILESCC(CO)N1CC(O)CCC1C
InChIInChI=1S/C9H19NO2/c1-7-3-4-9(12)5-10(7)8(2)6-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKWDBGGWJAJBGSW-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol (CID 130854824) is 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol is CC(CO)N1CC(O)CCC1C.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol?
The InChIKey is KWDBGGWJAJBGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7-3-4-9(12)5-10(7)8(2)6-11/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol?
1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-6-methylpiperidin-3-ol is sourced from PubChem (CID 130854824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).