1-[1-(3-aminopropyl)piperidin-4-yl]ethanone

C10H20N2O — CID 20802810

IUPAC1-[1-(3-aminopropyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCCN)CC1
InChIInChI=1S/C10H20N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h10H,2-8,11H2,1H3
InChIKeyQFVLIBCAXNTBBX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.64
Rot. Bonds4

About 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone

1-[1-(3-aminopropyl)piperidin-4-yl]ethanone (PubChem CID 20802810) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)piperidin-4-yl]ethanone
PubChem CID20802810
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[1-(3-aminopropyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCCN)CC1
InChIInChI=1S/C10H20N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h10H,2-8,11H2,1H3
InChIKeyQFVLIBCAXNTBBX-UHFFFAOYSA-N
XLogP0.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone (CID 20802810) is 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(CCCN)CC1.
What is the InChIKey of 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone?
The InChIKey is QFVLIBCAXNTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h10H,2-8,11H2,1H3.
What are the key properties of 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone?
1-[1-(3-aminopropyl)piperidin-4-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 20802810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).