2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C13H21NO2 — CID 60957122

IUPAC2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO2/c15-10-12-5-7-14(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12,15H,2,4-10H2
InChIKeyJTVSRNHOFWSIBC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 60957122) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID60957122
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO2/c15-10-12-5-7-14(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12,15H,2,4-10H2
InChIKeyJTVSRNHOFWSIBC-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 60957122) is 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1C=CCC1)N1CCC(CO)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is JTVSRNHOFWSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-12-5-7-14(8-6-12)13(16)9-11-3-1-2-4-11/h1,3,11-12,15H,2,4-10H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 223.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60957122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).