2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

C13H24N2O3 — CID 60705730

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC(CO)C2)CCO1
InChIInChI=1S/C13H24N2O3/c1-11-7-15(5-6-18-11)13(17)9-14-4-2-3-12(8-14)10-16/h11-12,16H,2-10H2,1H3
InChIKeyQHQRUVYMNINWGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 60705730) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID60705730
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC(CO)C2)CCO1
InChIInChI=1S/C13H24N2O3/c1-11-7-15(5-6-18-11)13(17)9-14-4-2-3-12(8-14)10-16/h11-12,16H,2-10H2,1H3
InChIKeyQHQRUVYMNINWGI-UHFFFAOYSA-N
XLogP-0.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 60705730) is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCCC(CO)C2)CCO1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is QHQRUVYMNINWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-7-15(5-6-18-11)13(17)9-14-4-2-3-12(8-14)10-16/h11-12,16H,2-10H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 60705730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).