2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one

C14H25NO — CID 79045222

IUPAC2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-5-12(2)11-13(16)14(3,4)15-9-7-6-8-10-15/h2,5-11H2,1,3-4H3
InChIKeyKUWWUCVZUQJDIJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one

2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one (PubChem CID 79045222) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one.

Molecular Properties

Compound Name2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one
PubChem CID79045222
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one
SMILESC=C(CC)CC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H25NO/c1-5-12(2)11-13(16)14(3,4)15-9-7-6-8-10-15/h2,5-11H2,1,3-4H3
InChIKeyKUWWUCVZUQJDIJ-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-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one?
The IUPAC name of 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one (CID 79045222) is 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one.
What is the SMILES notation for 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one?
The canonical SMILES for 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one is C=C(CC)CC(=O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one?
The InChIKey is KUWWUCVZUQJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-12(2)11-13(16)14(3,4)15-9-7-6-8-10-15/h2,5-11H2,1,3-4H3.
What are the key properties of 2-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one?
2-methyl-5-methylidene-2-piperidin-1-ylheptan-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-methyl-5-methylidene-2-piperidin-1-ylheptan-3-one is sourced from PubChem (CID 79045222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).