(4R)-4-(hydroxymethyl)piperidin-2-one

C6H11NO2 — CID 95731634

IUPAC(4R)-4-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@H](CO)CCN1
InChIInChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyDTSWKQMYYTZZMS-RXMQYKEDSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About (4R)-4-(hydroxymethyl)piperidin-2-one

(4R)-4-(hydroxymethyl)piperidin-2-one (PubChem CID 95731634) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)piperidin-2-one
PubChem CID95731634
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4R)-4-(hydroxymethyl)piperidin-2-one
SMILESO=C1C[C@H](CO)CCN1
InChIInChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyDTSWKQMYYTZZMS-RXMQYKEDSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)piperidin-2-one?
The IUPAC name of (4R)-4-(hydroxymethyl)piperidin-2-one (CID 95731634) is (4R)-4-(hydroxymethyl)piperidin-2-one.
What is the SMILES notation for (4R)-4-(hydroxymethyl)piperidin-2-one?
The canonical SMILES for (4R)-4-(hydroxymethyl)piperidin-2-one is O=C1C[C@H](CO)CCN1.
What is the InChIKey of (4R)-4-(hydroxymethyl)piperidin-2-one?
The InChIKey is DTSWKQMYYTZZMS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)/t5-/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)piperidin-2-one?
(4R)-4-(hydroxymethyl)piperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)piperidin-2-one is sourced from PubChem (CID 95731634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).