2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C11H19NO2 — CID 11820034

IUPAC2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC(CO)CC1
InChIInChI=1S/C11H19NO2/c13-8-10-3-5-12(6-4-10)11(14)7-9-1-2-9/h9-10,13H,1-8H2
InChIKeyIUWSHDZSFCAMNZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds3

About 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 11820034) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID11820034
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC(CO)CC1
InChIInChI=1S/C11H19NO2/c13-8-10-3-5-12(6-4-10)11(14)7-9-1-2-9/h9-10,13H,1-8H2
InChIKeyIUWSHDZSFCAMNZ-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 11820034) is 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCC(CO)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is IUWSHDZSFCAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-10-3-5-12(6-4-10)11(14)7-9-1-2-9/h9-10,13H,1-8H2.
What are the key properties of 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 197.28 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 2-cyclopropyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 11820034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).