(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone

C16H23NO — CID 114278961

IUPAC(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNCC2C)cc1C
InChIInChI=1S/C16H23NO/c1-10-7-12(3)15(8-11(10)2)16(18)14-5-6-17-9-13(14)4/h7-8,13-14,17H,5-6,9H2,1-4H3
InChIKeyRAHOFCPMRSLWBS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.04
Rot. Bonds2

About (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone

(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 114278961) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID114278961
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCNCC2C)cc1C
InChIInChI=1S/C16H23NO/c1-10-7-12(3)15(8-11(10)2)16(18)14-5-6-17-9-13(14)4/h7-8,13-14,17H,5-6,9H2,1-4H3
InChIKeyRAHOFCPMRSLWBS-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone (CID 114278961) is (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCNCC2C)cc1C.
What is the InChIKey of (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is RAHOFCPMRSLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10-7-12(3)15(8-11(10)2)16(18)14-5-6-17-9-13(14)4/h7-8,13-14,17H,5-6,9H2,1-4H3.
What are the key properties of (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone?
(3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-4-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 114278961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).