1-(3-aminopropyl)piperidin-3-one

C8H16N2O — CID 53402694

IUPAC1-(3-aminopropyl)piperidin-3-one
SMILESNCCCN1CCCC(=O)C1
InChIInChI=1S/C8H16N2O/c9-4-2-6-10-5-1-3-8(11)7-10/h1-7,9H2
InChIKeyNBSTYJBZSVHCJN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.00
Rot. Bonds3

About 1-(3-aminopropyl)piperidin-3-one

1-(3-aminopropyl)piperidin-3-one (PubChem CID 53402694) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3-aminopropyl)piperidin-3-one.

Molecular Properties

Compound Name1-(3-aminopropyl)piperidin-3-one
PubChem CID53402694
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3-aminopropyl)piperidin-3-one
SMILESNCCCN1CCCC(=O)C1
InChIInChI=1S/C8H16N2O/c9-4-2-6-10-5-1-3-8(11)7-10/h1-7,9H2
InChIKeyNBSTYJBZSVHCJN-UHFFFAOYSA-N
XLogP0.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)piperidin-3-one?
The IUPAC name of 1-(3-aminopropyl)piperidin-3-one (CID 53402694) is 1-(3-aminopropyl)piperidin-3-one.
What is the SMILES notation for 1-(3-aminopropyl)piperidin-3-one?
The canonical SMILES for 1-(3-aminopropyl)piperidin-3-one is NCCCN1CCCC(=O)C1.
What is the InChIKey of 1-(3-aminopropyl)piperidin-3-one?
The InChIKey is NBSTYJBZSVHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-4-2-6-10-5-1-3-8(11)7-10/h1-7,9H2.
What are the key properties of 1-(3-aminopropyl)piperidin-3-one?
1-(3-aminopropyl)piperidin-3-one has a molecular weight of 156.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)piperidin-3-one is sourced from PubChem (CID 53402694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).