1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one

C11H21NO2 — CID 79548971

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C11H21NO2/c1-3-11(14)12-7-5-4-6-10(12)8-9(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyXPCJLULMNITQEE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.55
Rot. Bonds3

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one

1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one (PubChem CID 79548971) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
PubChem CID79548971
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C11H21NO2/c1-3-11(14)12-7-5-4-6-10(12)8-9(2)13/h9-10,13H,3-8H2,1-2H3
InChIKeyXPCJLULMNITQEE-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propoxyethanone
CID 114018464
N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
CID 79559941
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one (CID 79548971) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1CC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one?
The InChIKey is XPCJLULMNITQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(14)12-7-5-4-6-10(12)8-9(2)13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one?
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 79548971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).