4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one

C14H21N3O2 — CID 155471385

IUPAC4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one
SMILESCCc1ccc(CN2CCN(CCO)C(=O)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-13-4-3-12(9-15-13)10-16-5-6-17(7-8-18)14(19)11-16/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyDOOOBLHFYMRMPA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.28
Rot. Bonds5

About 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one

4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one (PubChem CID 155471385) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one
PubChem CID155471385
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one
SMILESCCc1ccc(CN2CCN(CCO)C(=O)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-13-4-3-12(9-15-13)10-16-5-6-17(7-8-18)14(19)11-16/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyDOOOBLHFYMRMPA-UHFFFAOYSA-N
XLogP0.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one (CID 155471385) is 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one is CCc1ccc(CN2CCN(CCO)C(=O)C2)cn1.
What is the InChIKey of 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is DOOOBLHFYMRMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-13-4-3-12(9-15-13)10-16-5-6-17(7-8-18)14(19)11-16/h3-4,9,18H,2,5-8,10-11H2,1H3.
What are the key properties of 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one?
4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 155471385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).