piperidin-4-yl-(2,4,6-trimethylphenyl)methanone

C15H21NO — CID 2741683

IUPACpiperidin-4-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H21NO/c1-10-8-11(2)14(12(3)9-10)15(17)13-4-6-16-7-5-13/h8-9,13,16H,4-7H2,1-3H3
InChIKeyQQNKNZXXLAADTO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds2

About piperidin-4-yl-(2,4,6-trimethylphenyl)methanone

piperidin-4-yl-(2,4,6-trimethylphenyl)methanone (PubChem CID 2741683) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is piperidin-4-yl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(2,4,6-trimethylphenyl)methanone
PubChem CID2741683
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namepiperidin-4-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C15H21NO/c1-10-8-11(2)14(12(3)9-10)15(17)13-4-6-16-7-5-13/h8-9,13,16H,4-7H2,1-3H3
InChIKeyQQNKNZXXLAADTO-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of piperidin-4-yl-(2,4,6-trimethylphenyl)methanone (CID 2741683) is piperidin-4-yl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for piperidin-4-yl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for piperidin-4-yl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCNCC2)c(C)c1.
What is the InChIKey of piperidin-4-yl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is QQNKNZXXLAADTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-8-11(2)14(12(3)9-10)15(17)13-4-6-16-7-5-13/h8-9,13,16H,4-7H2,1-3H3.
What are the key properties of piperidin-4-yl-(2,4,6-trimethylphenyl)methanone?
piperidin-4-yl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 2741683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).