cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H21NO2 — CID 43421245

IUPACcyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCCC1CO
InChIInChI=1S/C13H21NO2/c15-10-12-8-4-5-9-14(12)13(16)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10H2
InChIKeyCIQMXYUYDWXGTI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds2

About cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone

cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43421245) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43421245
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namecyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCCC1CO
InChIInChI=1S/C13H21NO2/c15-10-12-8-4-5-9-14(12)13(16)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10H2
InChIKeyCIQMXYUYDWXGTI-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
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 cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43421245) is cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1CC=CCC1)N1CCCCC1CO.
What is the InChIKey of cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CIQMXYUYDWXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-12-8-4-5-9-14(12)13(16)11-6-2-1-3-7-11/h1-2,11-12,15H,3-10H2.
What are the key properties of cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 223.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).