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

C13H21NO — CID 3052996

IUPACcyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C13H21NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,11-12H,4-10H2,1H3
InChIKeyBJJIRGXHGXQQKS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds1

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

cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone (PubChem CID 3052996) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone
PubChem CID3052996
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C13H21NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,11-12H,4-10H2,1H3
InChIKeyBJJIRGXHGXQQKS-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylpiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone (CID 3052996) is cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BJJIRGXHGXQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-6-5-9-14(10-11)13(15)12-7-3-2-4-8-12/h2-3,11-12H,4-10H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3052996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).