2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one

C14H25NO — CID 79189935

IUPAC2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one
SMILESCCC(C)(C(=O)C=C(C)C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3
InChIKeyYUJVMIGIEPODEO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds4

About 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one

2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one (PubChem CID 79189935) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one.

Molecular Properties

Compound Name2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one
PubChem CID79189935
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one
SMILESCCC(C)(C(=O)C=C(C)C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3
InChIKeyYUJVMIGIEPODEO-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one?
The IUPAC name of 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one (CID 79189935) is 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one.
What is the SMILES notation for 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one?
The canonical SMILES for 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one is CCC(C)(C(=O)C=C(C)C)N1CCCCC1.
What is the InChIKey of 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one?
The InChIKey is YUJVMIGIEPODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h11H,5-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one?
2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one has a molecular weight of 223.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one is sourced from PubChem (CID 79189935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).