4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one

C10H19NO2 — CID 60647815

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(13)4-6-11-5-2-3-10(7-11)8-12/h10,12H,2-8H2,1H3
InChIKeyYMEOKYKVLMHFIH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds4

About 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one

4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one (PubChem CID 60647815) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one
PubChem CID60647815
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(13)4-6-11-5-2-3-10(7-11)8-12/h10,12H,2-8H2,1H3
InChIKeyYMEOKYKVLMHFIH-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one (CID 60647815) is 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one is CC(=O)CCN1CCCC(CO)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one?
The InChIKey is YMEOKYKVLMHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13)4-6-11-5-2-3-10(7-11)8-12/h10,12H,2-8H2,1H3.
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one?
4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]butan-2-one is sourced from PubChem (CID 60647815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).