6-(dihydroxymethyl)piperidin-2-one

C6H11NO3 — CID 91025035

IUPAC6-(dihydroxymethyl)piperidin-2-one
SMILESO=C1CCCC(C(O)O)N1
InChIInChI=1S/C6H11NO3/c8-5-3-1-2-4(7-5)6(9)10/h4,6,9-10H,1-3H2,(H,7,8)
InChIKeyZFFCQAVQSCULFN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.03
Rot. Bonds1

About 6-(dihydroxymethyl)piperidin-2-one

6-(dihydroxymethyl)piperidin-2-one (PubChem CID 91025035) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 6-(dihydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(dihydroxymethyl)piperidin-2-one
PubChem CID91025035
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name6-(dihydroxymethyl)piperidin-2-one
SMILESO=C1CCCC(C(O)O)N1
InChIInChI=1S/C6H11NO3/c8-5-3-1-2-4(7-5)6(9)10/h4,6,9-10H,1-3H2,(H,7,8)
InChIKeyZFFCQAVQSCULFN-UHFFFAOYSA-N
XLogP-1.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dihydroxymethyl)piperidin-2-one?
The IUPAC name of 6-(dihydroxymethyl)piperidin-2-one (CID 91025035) is 6-(dihydroxymethyl)piperidin-2-one.
What is the SMILES notation for 6-(dihydroxymethyl)piperidin-2-one?
The canonical SMILES for 6-(dihydroxymethyl)piperidin-2-one is O=C1CCCC(C(O)O)N1.
What is the InChIKey of 6-(dihydroxymethyl)piperidin-2-one?
The InChIKey is ZFFCQAVQSCULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-3-1-2-4(7-5)6(9)10/h4,6,9-10H,1-3H2,(H,7,8).
What are the key properties of 6-(dihydroxymethyl)piperidin-2-one?
6-(dihydroxymethyl)piperidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dihydroxymethyl)piperidin-2-one is sourced from PubChem (CID 91025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).