1-piperidin-1-ylpropan-1-one

C8H15NO — CID 26421

IUPAC1-piperidin-1-ylpropan-1-one
SMILESCCC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h2-7H2,1H3
InChIKeyMTJVUMGKHCIMJL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About 1-piperidin-1-ylpropan-1-one

1-piperidin-1-ylpropan-1-one (PubChem CID 26421) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-1-one
PubChem CID26421
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-piperidin-1-ylpropan-1-one
SMILESCCC(=O)N1CCCCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h2-7H2,1H3
InChIKeyMTJVUMGKHCIMJL-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-piperidin-1-ylpropan-1-one (CID 26421) is 1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-piperidin-1-ylpropan-1-one is CCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropan-1-one?
The InChIKey is MTJVUMGKHCIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(10)9-6-4-3-5-7-9/h2-7H2,1H3.
What are the key properties of 1-piperidin-1-ylpropan-1-one?
1-piperidin-1-ylpropan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 26421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).