2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone

C12H22N2O2 — CID 103898157

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)CC1O
InChIInChI=1S/C12H22N2O2/c1-10-4-7-13(8-11(10)15)9-12(16)14-5-2-3-6-14/h10-11,15H,2-9H2,1H3
InChIKeyOGBFFRPMBWYJHF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone

2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 103898157) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID103898157
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)CC1O
InChIInChI=1S/C12H22N2O2/c1-10-4-7-13(8-11(10)15)9-12(16)14-5-2-3-6-14/h10-11,15H,2-9H2,1H3
InChIKeyOGBFFRPMBWYJHF-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone (CID 103898157) is 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is CC1CCN(CC(=O)N2CCCC2)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is OGBFFRPMBWYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-4-7-13(8-11(10)15)9-12(16)14-5-2-3-6-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103898157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).