2-methyl-2-piperidin-1-yloct-6-yn-3-one

C14H23NO — CID 104803362

IUPAC2-methyl-2-piperidin-1-yloct-6-yn-3-one
SMILESCC#CCCC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h6-12H2,1-3H3
InChIKeyLAPMUXDWDYDXRR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-2-piperidin-1-yloct-6-yn-3-one

2-methyl-2-piperidin-1-yloct-6-yn-3-one (PubChem CID 104803362) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yloct-6-yn-3-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yloct-6-yn-3-one
PubChem CID104803362
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-piperidin-1-yloct-6-yn-3-one
SMILESCC#CCCC(=O)C(C)(C)N1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h6-12H2,1-3H3
InChIKeyLAPMUXDWDYDXRR-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yloct-6-yn-3-one?
The IUPAC name of 2-methyl-2-piperidin-1-yloct-6-yn-3-one (CID 104803362) is 2-methyl-2-piperidin-1-yloct-6-yn-3-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yloct-6-yn-3-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yloct-6-yn-3-one is CC#CCCC(=O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yloct-6-yn-3-one?
The InChIKey is LAPMUXDWDYDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-7-10-13(16)14(2,3)15-11-8-6-9-12-15/h6-12H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yloct-6-yn-3-one?
2-methyl-2-piperidin-1-yloct-6-yn-3-one has a molecular weight of 221.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yloct-6-yn-3-one is sourced from PubChem (CID 104803362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).