1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

C14H28N2O — CID 83990429

IUPAC1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC)CN(C(=O)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-7-12-8-13(15-6-2)10-16(9-12)14(17)11(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLMUDWOOHTIKHCY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83990429) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83990429
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC)CN(C(=O)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-7-12-8-13(15-6-2)10-16(9-12)14(17)11(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyLMUDWOOHTIKHCY-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (CID 83990429) is 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is CCCC1CC(NCC)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LMUDWOOHTIKHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-12-8-13(15-6-2)10-16(9-12)14(17)11(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83990429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).