1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one

C14H26N2O3 — CID 145317223

IUPAC1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCO[C@@H](CO)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-3-14(18)15-6-4-12(5-7-15)16-8-9-19-13(10-16)11-17/h12-13,17H,2-11H2,1H3/t13-/m1/s1
InChIKeyRHOSZIRHSSNGLJ-CYBMUJFWSA-N
MW270.37 g/mol
LogP0.47
Rot. Bonds4

About 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one

1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one (PubChem CID 145317223) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one
PubChem CID145317223
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCO[C@@H](CO)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-3-14(18)15-6-4-12(5-7-15)16-8-9-19-13(10-16)11-17/h12-13,17H,2-11H2,1H3/t13-/m1/s1
InChIKeyRHOSZIRHSSNGLJ-CYBMUJFWSA-N
XLogP0.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one (CID 145317223) is 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCO[C@@H](CO)C2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one?
The InChIKey is RHOSZIRHSSNGLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-3-14(18)15-6-4-12(5-7-15)16-8-9-19-13(10-16)11-17/h12-13,17H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one?
1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 145317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).