1-[2-(dipropylamino)ethyl]piperidin-4-one

C13H26N2O — CID 18001708

IUPAC1-[2-(dipropylamino)ethyl]piperidin-4-one
SMILESCCCN(CCC)CCN1CCC(=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-7-14(8-4-2)11-12-15-9-5-13(16)6-10-15/h3-12H2,1-2H3
InChIKeyRLRDADROGPBEDP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.77
Rot. Bonds7

About 1-[2-(dipropylamino)ethyl]piperidin-4-one

1-[2-(dipropylamino)ethyl]piperidin-4-one (PubChem CID 18001708) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(dipropylamino)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(dipropylamino)ethyl]piperidin-4-one
PubChem CID18001708
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(dipropylamino)ethyl]piperidin-4-one
SMILESCCCN(CCC)CCN1CCC(=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-7-14(8-4-2)11-12-15-9-5-13(16)6-10-15/h3-12H2,1-2H3
InChIKeyRLRDADROGPBEDP-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(dipropylamino)ethyl]piperidin-4-one (CID 18001708) is 1-[2-(dipropylamino)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(dipropylamino)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(dipropylamino)ethyl]piperidin-4-one is CCCN(CCC)CCN1CCC(=O)CC1.
What is the InChIKey of 1-[2-(dipropylamino)ethyl]piperidin-4-one?
The InChIKey is RLRDADROGPBEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-14(8-4-2)11-12-15-9-5-13(16)6-10-15/h3-12H2,1-2H3.
What are the key properties of 1-[2-(dipropylamino)ethyl]piperidin-4-one?
1-[2-(dipropylamino)ethyl]piperidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)ethyl]piperidin-4-one is sourced from PubChem (CID 18001708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).