1-piperidin-4-ylpropan-2-one

C8H15NO — CID 3019492

IUPAC1-piperidin-4-ylpropan-2-one
SMILESCC(=O)CC1CCNCC1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3
InChIKeyLKLPWBVOFQVJKZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.97
Rot. Bonds2

About 1-piperidin-4-ylpropan-2-one

1-piperidin-4-ylpropan-2-one (PubChem CID 3019492) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylpropan-2-one
PubChem CID3019492
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-piperidin-4-ylpropan-2-one
SMILESCC(=O)CC1CCNCC1
InChIInChI=1S/C8H15NO/c1-7(10)6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3
InChIKeyLKLPWBVOFQVJKZ-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-piperidin-4-ylpropan-2-one (CID 3019492) is 1-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-piperidin-4-ylpropan-2-one is CC(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpropan-2-one?
The InChIKey is LKLPWBVOFQVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-piperidin-4-ylpropan-2-one?
1-piperidin-4-ylpropan-2-one has a molecular weight of 141.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 3019492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).