1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone

C13H26N2O2 — CID 50968208

IUPAC1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone
SMILESCCCOC(C)CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9-17-11(2)10-14-13-5-7-15(8-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3
InChIKeyNUBUFDFKMZLVRX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone

1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone (PubChem CID 50968208) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone
PubChem CID50968208
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone
SMILESCCCOC(C)CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9-17-11(2)10-14-13-5-7-15(8-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3
InChIKeyNUBUFDFKMZLVRX-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone (CID 50968208) is 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone is CCCOC(C)CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone?
The InChIKey is NUBUFDFKMZLVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9-17-11(2)10-14-13-5-7-15(8-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone?
1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propoxypropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 50968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).