(2,4-dimethylphenyl)-piperidin-4-ylmethanone

C14H19NO — CID 24689344

IUPAC(2,4-dimethylphenyl)-piperidin-4-ylmethanone
SMILESCc1ccc(C(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyXDNVDWRCYCCMSM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About (2,4-dimethylphenyl)-piperidin-4-ylmethanone

(2,4-dimethylphenyl)-piperidin-4-ylmethanone (PubChem CID 24689344) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-piperidin-4-ylmethanone
PubChem CID24689344
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2,4-dimethylphenyl)-piperidin-4-ylmethanone
SMILESCc1ccc(C(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyXDNVDWRCYCCMSM-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2,4-dimethylphenyl)-piperidin-4-ylmethanone (CID 24689344) is (2,4-dimethylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2,4-dimethylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2,4-dimethylphenyl)-piperidin-4-ylmethanone is Cc1ccc(C(=O)C2CCNCC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-piperidin-4-ylmethanone?
The InChIKey is XDNVDWRCYCCMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-piperidin-4-ylmethanone?
(2,4-dimethylphenyl)-piperidin-4-ylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 24689344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).