2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one

C14H25NO — CID 114473628

IUPAC2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(2)8-9-13(16)14(3,4)15-10-6-5-7-11-15/h1,5-11H2,2-4H3
InChIKeyXACAIEWNZNIXAY-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds5

About 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one

2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one (PubChem CID 114473628) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one.

Molecular Properties

Compound Name2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one
PubChem CID114473628
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-12(2)8-9-13(16)14(3,4)15-10-6-5-7-11-15/h1,5-11H2,2-4H3
InChIKeyXACAIEWNZNIXAY-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one?
The IUPAC name of 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one (CID 114473628) is 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one.
What is the SMILES notation for 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one?
The canonical SMILES for 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one is C=C(C)CCC(=O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one?
The InChIKey is XACAIEWNZNIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2)8-9-13(16)14(3,4)15-10-6-5-7-11-15/h1,5-11H2,2-4H3.
What are the key properties of 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one?
2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-piperidin-1-ylhept-6-en-3-one is sourced from PubChem (CID 114473628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).