4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione

C12H21NO2 — CID 58710780

IUPAC4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione
SMILESCC(C)C[C@H](C)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C12H21NO2/c1-8(2)4-9(3)5-10-6-11(14)13-12(15)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyPYBJXQPDKNYTHG-VIFPVBQESA-N
MW211.30 g/mol
LogP2.11
Rot. Bonds4

About 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione

4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione (PubChem CID 58710780) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione
PubChem CID58710780
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione
SMILESCC(C)C[C@H](C)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C12H21NO2/c1-8(2)4-9(3)5-10-6-11(14)13-12(15)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyPYBJXQPDKNYTHG-VIFPVBQESA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione?
The IUPAC name of 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione (CID 58710780) is 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione is CC(C)C[C@H](C)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione?
The InChIKey is PYBJXQPDKNYTHG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)4-9(3)5-10-6-11(14)13-12(15)7-10/h8-10H,4-7H2,1-3H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione?
4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione has a molecular weight of 211.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,4-dimethylpentyl]piperidine-2,6-dione is sourced from PubChem (CID 58710780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).