1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol

C9H19NO2 — CID 60886566

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCCC(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyBAWIYAGWCLVDAU-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

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

1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol (PubChem CID 60886566) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
PubChem CID60886566
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCCC(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyBAWIYAGWCLVDAU-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol (CID 60886566) is 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol is CC(O)CN1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is BAWIYAGWCLVDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol?
1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 60886566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).