(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone

C12H21NO3 — CID 114826278

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCC(O)C(C)C2)CO1
InChIInChI=1S/C12H21NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h8-11,14H,3-7H2,1-2H3
InChIKeyMRHORLQBJHMDLB-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.64
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114826278) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114826278
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCC(O)C(C)C2)CO1
InChIInChI=1S/C12H21NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h8-11,14H,3-7H2,1-2H3
InChIKeyMRHORLQBJHMDLB-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone (CID 114826278) is (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCC(O)C(C)C2)CO1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is MRHORLQBJHMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-6-13(4-3-11(8)14)12(15)10-5-9(2)16-7-10/h8-11,14H,3-7H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 227.30 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114826278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).