1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone

C10H19NO2 — CID 21468229

IUPAC1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C10H19NO2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h10,12H,2-8H2,1H3
InChIKeyAAZFTBKYUNRTAS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone

1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 21468229) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID21468229
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCO)CC1
InChIInChI=1S/C10H19NO2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h10,12H,2-8H2,1H3
InChIKeyAAZFTBKYUNRTAS-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone (CID 21468229) is 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CCCO)CC1.
What is the InChIKey of 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is AAZFTBKYUNRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h10,12H,2-8H2,1H3.
What are the key properties of 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone?
1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 21468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).