1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one

C10H17NO2 — CID 62355925

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-6-3-4-9(8-11)5-7-12/h2,9,12H,1,3-8H2
InChIKeyVGROMIPTNIKSEE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one

1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 62355925) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID62355925
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-6-3-4-9(8-11)5-7-12/h2,9,12H,1,3-8H2
InChIKeyVGROMIPTNIKSEE-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one (CID 62355925) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is VGROMIPTNIKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(13)11-6-3-4-9(8-11)5-7-12/h2,9,12H,1,3-8H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 62355925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).