5-(1-amino-2-hydroxyethyl)piperidin-2-one

C7H14N2O2 — CID 83872905

IUPAC5-(1-amino-2-hydroxyethyl)piperidin-2-one
SMILESNC(CO)C1CCC(=O)NC1
InChIInChI=1S/C7H14N2O2/c8-6(4-10)5-1-2-7(11)9-3-5/h5-6,10H,1-4,8H2,(H,9,11)
InChIKeyXYZZGQCTSIIEDV-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.17
Rot. Bonds2

About 5-(1-amino-2-hydroxyethyl)piperidin-2-one

5-(1-amino-2-hydroxyethyl)piperidin-2-one (PubChem CID 83872905) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)piperidin-2-one
PubChem CID83872905
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name5-(1-amino-2-hydroxyethyl)piperidin-2-one
SMILESNC(CO)C1CCC(=O)NC1
InChIInChI=1S/C7H14N2O2/c8-6(4-10)5-1-2-7(11)9-3-5/h5-6,10H,1-4,8H2,(H,9,11)
InChIKeyXYZZGQCTSIIEDV-UHFFFAOYSA-N
XLogP-1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)piperidin-2-one?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)piperidin-2-one (CID 83872905) is 5-(1-amino-2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)piperidin-2-one is NC(CO)C1CCC(=O)NC1.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)piperidin-2-one?
The InChIKey is XYZZGQCTSIIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6(4-10)5-1-2-7(11)9-3-5/h5-6,10H,1-4,8H2,(H,9,11).
What are the key properties of 5-(1-amino-2-hydroxyethyl)piperidin-2-one?
5-(1-amino-2-hydroxyethyl)piperidin-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 83872905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).