4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one

C12H23NO4 — CID 82693542

IUPAC4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H23NO4/c1-10(15)2-3-12(16)13-6-4-11(5-7-13)17-9-8-14/h10-11,14-15H,2-9H2,1H3
InChIKeyFISAJDLRJLIVSJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.15
Rot. Bonds6

About 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one

4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one (PubChem CID 82693542) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
PubChem CID82693542
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H23NO4/c1-10(15)2-3-12(16)13-6-4-11(5-7-13)17-9-8-14/h10-11,14-15H,2-9H2,1H3
InChIKeyFISAJDLRJLIVSJ-UHFFFAOYSA-N
XLogP0.15
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one (CID 82693542) is 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one is CC(O)CCC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one?
The InChIKey is FISAJDLRJLIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(15)2-3-12(16)13-6-4-11(5-7-13)17-9-8-14/h10-11,14-15H,2-9H2,1H3.
What are the key properties of 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one?
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one has a molecular weight of 245.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 82693542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).