(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone

C13H21NO — CID 3055356

IUPAC(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone
SMILESCC1CC=CCC1C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyHKEBZICUKLQKGY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds1

About (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone

(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone (PubChem CID 3055356) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone
PubChem CID3055356
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone
SMILESCC1CC=CCC1C(=O)N1CCCCC1
InChIInChI=1S/C13H21NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyHKEBZICUKLQKGY-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 (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone (CID 3055356) is (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone is CC1CC=CCC1C(=O)N1CCCCC1.
What is the InChIKey of (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone?
The InChIKey is HKEBZICUKLQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone?
(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone 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 (6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3055356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).