1-piperidin-1-ylpentan-3-one

C10H19NO — CID 13224768

IUPAC1-piperidin-1-ylpentan-3-one
SMILESCCC(=O)CCN1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
InChIKeyGRFNSRAUMQHCMG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds4

About 1-piperidin-1-ylpentan-3-one

1-piperidin-1-ylpentan-3-one (PubChem CID 13224768) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-piperidin-1-ylpentan-3-one.

Molecular Properties

Compound Name1-piperidin-1-ylpentan-3-one
PubChem CID13224768
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-piperidin-1-ylpentan-3-one
SMILESCCC(=O)CCN1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
InChIKeyGRFNSRAUMQHCMG-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpentan-3-one?
The IUPAC name of 1-piperidin-1-ylpentan-3-one (CID 13224768) is 1-piperidin-1-ylpentan-3-one.
What is the SMILES notation for 1-piperidin-1-ylpentan-3-one?
The canonical SMILES for 1-piperidin-1-ylpentan-3-one is CCC(=O)CCN1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpentan-3-one?
The InChIKey is GRFNSRAUMQHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3.
What are the key properties of 1-piperidin-1-ylpentan-3-one?
1-piperidin-1-ylpentan-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpentan-3-one is sourced from PubChem (CID 13224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).