2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone

C15H26N2O3 — CID 72919919

IUPAC2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESC=CCC1(CO)CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h2,18H,1,3-13H2
InChIKeySFYZYOSGUZEWTB-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.50
Rot. Bonds5

About 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 72919919) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID72919919
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone
SMILESC=CCC1(CO)CCCN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h2,18H,1,3-13H2
InChIKeySFYZYOSGUZEWTB-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone (CID 72919919) is 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone is C=CCC1(CO)CCCN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is SFYZYOSGUZEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-4-15(13-18)5-3-6-16(12-15)11-14(19)17-7-9-20-10-8-17/h2,18H,1,3-13H2.
What are the key properties of 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 282.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 72919919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).