1,3-di(piperidin-1-yl)propan-1-one

C13H24N2O — CID 3030627

IUPAC1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14/h1-12H2
InChIKeyQXLJIEXVDCTZFW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds3

About 1,3-di(piperidin-1-yl)propan-1-one

1,3-di(piperidin-1-yl)propan-1-one (PubChem CID 3030627) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-di(piperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1,3-di(piperidin-1-yl)propan-1-one
PubChem CID3030627
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H24N2O/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14/h1-12H2
InChIKeyQXLJIEXVDCTZFW-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-1-yl)propan-1-one?
The IUPAC name of 1,3-di(piperidin-1-yl)propan-1-one (CID 3030627) is 1,3-di(piperidin-1-yl)propan-1-one.
What is the SMILES notation for 1,3-di(piperidin-1-yl)propan-1-one?
The canonical SMILES for 1,3-di(piperidin-1-yl)propan-1-one is O=C(CCN1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,3-di(piperidin-1-yl)propan-1-one?
The InChIKey is QXLJIEXVDCTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(15-10-5-2-6-11-15)7-12-14-8-3-1-4-9-14/h1-12H2.
What are the key properties of 1,3-di(piperidin-1-yl)propan-1-one?
1,3-di(piperidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-1-yl)propan-1-one is sourced from PubChem (CID 3030627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).