1-[(4-ethylphenyl)methyl]piperidine-2,6-dione

C14H17NO2 — CID 82128665

IUPAC1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
SMILESCCc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-2-11-6-8-12(9-7-11)10-15-13(16)4-3-5-14(15)17/h6-9H,2-5,10H2,1H3
InChIKeyFTCZOFZCUCXFKP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione

1-[(4-ethylphenyl)methyl]piperidine-2,6-dione (PubChem CID 82128665) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
PubChem CID82128665
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
SMILESCCc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-2-11-6-8-12(9-7-11)10-15-13(16)4-3-5-14(15)17/h6-9H,2-5,10H2,1H3
InChIKeyFTCZOFZCUCXFKP-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione (CID 82128665) is 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione is CCc1ccc(CN2C(=O)CCCC2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione?
The InChIKey is FTCZOFZCUCXFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-11-6-8-12(9-7-11)10-15-13(16)4-3-5-14(15)17/h6-9H,2-5,10H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione?
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione has a molecular weight of 231.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 82128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).