2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one

C14H23NO — CID 134919309

IUPAC2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1=CCC(N2CCCCC2)C(C)(C)C1=O
InChIInChI=1S/C14H23NO/c1-11-7-8-12(14(2,3)13(11)16)15-9-5-4-6-10-15/h7,12H,4-6,8-10H2,1-3H3
InChIKeyIZNCHTOBQVOYKM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds1

About 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one

2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one (PubChem CID 134919309) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one
PubChem CID134919309
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1=CCC(N2CCCCC2)C(C)(C)C1=O
InChIInChI=1S/C14H23NO/c1-11-7-8-12(14(2,3)13(11)16)15-9-5-4-6-10-15/h7,12H,4-6,8-10H2,1-3H3
InChIKeyIZNCHTOBQVOYKM-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one (CID 134919309) is 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one is CC1=CCC(N2CCCCC2)C(C)(C)C1=O.
What is the InChIKey of 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one?
The InChIKey is IZNCHTOBQVOYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-8-12(14(2,3)13(11)16)15-9-5-4-6-10-15/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one?
2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 134919309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).