2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone

C11H20N2O2 — CID 62918356

IUPAC2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(O)C1)N1CCCCC1
InChIInChI=1S/C11H20N2O2/c14-10-4-7-12(8-10)9-11(15)13-5-2-1-3-6-13/h10,14H,1-9H2
InChIKeyUDMLESSRKAQXGJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.07
Rot. Bonds2

About 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone

2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 62918356) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone
PubChem CID62918356
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(O)C1)N1CCCCC1
InChIInChI=1S/C11H20N2O2/c14-10-4-7-12(8-10)9-11(15)13-5-2-1-3-6-13/h10,14H,1-9H2
InChIKeyUDMLESSRKAQXGJ-UHFFFAOYSA-N
XLogP0.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone (CID 62918356) is 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone is O=C(CN1CCC(O)C1)N1CCCCC1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is UDMLESSRKAQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10-4-7-12(8-10)9-11(15)13-5-2-1-3-6-13/h10,14H,1-9H2.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone?
2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 212.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 62918356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).