3-amino-3-(hydroxymethyl)piperidin-2-one

C6H12N2O2 — CID 13315050

IUPAC3-amino-3-(hydroxymethyl)piperidin-2-one
SMILESNC1(CO)CCCNC1=O
InChIInChI=1S/C6H12N2O2/c7-6(4-9)2-1-3-8-5(6)10/h9H,1-4,7H2,(H,8,10)
InChIKeyCGAOIPDPJCYUJR-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.41
Rot. Bonds1

About 3-amino-3-(hydroxymethyl)piperidin-2-one

3-amino-3-(hydroxymethyl)piperidin-2-one (PubChem CID 13315050) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-3-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-3-(hydroxymethyl)piperidin-2-one
PubChem CID13315050
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-3-(hydroxymethyl)piperidin-2-one
SMILESNC1(CO)CCCNC1=O
InChIInChI=1S/C6H12N2O2/c7-6(4-9)2-1-3-8-5(6)10/h9H,1-4,7H2,(H,8,10)
InChIKeyCGAOIPDPJCYUJR-UHFFFAOYSA-N
XLogP-1.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(hydroxymethyl)piperidin-2-one?
The IUPAC name of 3-amino-3-(hydroxymethyl)piperidin-2-one (CID 13315050) is 3-amino-3-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-3-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for 3-amino-3-(hydroxymethyl)piperidin-2-one is NC1(CO)CCCNC1=O.
What is the InChIKey of 3-amino-3-(hydroxymethyl)piperidin-2-one?
The InChIKey is CGAOIPDPJCYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6(4-9)2-1-3-8-5(6)10/h9H,1-4,7H2,(H,8,10).
What are the key properties of 3-amino-3-(hydroxymethyl)piperidin-2-one?
3-amino-3-(hydroxymethyl)piperidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 13315050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).