cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C13H21NO2 — CID 103900660

IUPACcyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC=CCC2)CC1O
InChIInChI=1S/C13H21NO2/c1-10-7-8-14(9-12(10)15)13(16)11-5-3-2-4-6-11/h2-3,10-12,15H,4-9H2,1H3
InChIKeyTUWNHWTXODYLJK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds1

About cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103900660) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103900660
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namecyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC=CCC2)CC1O
InChIInChI=1S/C13H21NO2/c1-10-7-8-14(9-12(10)15)13(16)11-5-3-2-4-6-11/h2-3,10-12,15H,4-9H2,1H3
InChIKeyTUWNHWTXODYLJK-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103900660) is cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CC=CCC2)CC1O.
What is the InChIKey of cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is TUWNHWTXODYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-7-8-14(9-12(10)15)13(16)11-5-3-2-4-6-11/h2-3,10-12,15H,4-9H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.57, 1 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-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103900660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).