2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one

C14H25NO — CID 21107861

IUPAC2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO/c1-10(2)12(16)11-8-13(3,4)15(7)14(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyGFWUYZFCCWSVGW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one

2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one (PubChem CID 21107861) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one
PubChem CID21107861
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO/c1-10(2)12(16)11-8-13(3,4)15(7)14(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyGFWUYZFCCWSVGW-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one (CID 21107861) is 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one is C=C(C)C(=O)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one?
The InChIKey is GFWUYZFCCWSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)12(16)11-8-13(3,4)15(7)14(5,6)9-11/h11H,1,8-9H2,2-7H3.
What are the key properties of 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one?
2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 21107861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).