cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H19NO2 — CID 107224375

IUPACcyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H19NO2/c14-11-7-4-8-13(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9H2/t10?,11-/m0/s1
InChIKeyGYAROCDWFQMPFW-DTIOYNMSSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds1

About cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone

cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224375) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224375
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namecyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H19NO2/c14-11-7-4-8-13(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9H2/t10?,11-/m0/s1
InChIKeyGYAROCDWFQMPFW-DTIOYNMSSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
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-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224375) is cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(C1CC=CCC1)N1CCC[C@H](O)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is GYAROCDWFQMPFW-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-7-4-8-13(9-11)12(15)10-5-2-1-3-6-10/h1-2,10-11,14H,3-9H2/t10?,11-/m0/s1.
What are the key properties of cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 209.29 g/mol, XLogP of 1.33, 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-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).