(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone

C14H23NO — CID 3053000

IUPAC(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CC=CCC1C(=O)N1CCCCC1C
InChIInChI=1S/C14H23NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,11-13H,5-10H2,1-2H3
InChIKeyDRRCAWQSOKLRJZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds1

About (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone

(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 3053000) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID3053000
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CC=CCC1C(=O)N1CCCCC1C
InChIInChI=1S/C14H23NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,11-13H,5-10H2,1-2H3
InChIKeyDRRCAWQSOKLRJZ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
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)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone (CID 3053000) is (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone is CC1CC=CCC1C(=O)N1CCCCC1C.
What is the InChIKey of (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is DRRCAWQSOKLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-3-4-9-13(11)14(16)15-10-6-5-8-12(15)2/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of (6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone?
(6-methylcyclohex-3-en-1-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.99, 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)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3053000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).