(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one

C7H13NO3 — CID 66573674

IUPAC(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one
SMILESO=C1CCC[C@H]([C@H](O)CO)N1
InChIInChI=1S/C7H13NO3/c9-4-6(10)5-2-1-3-7(11)8-5/h5-6,9-10H,1-4H2,(H,8,11)/t5-,6-/m1/s1
InChIKeyOBEHXWMPOZPTEM-PHDIDXHHSA-N
MW159.18 g/mol
LogP-0.99
Rot. Bonds2

About (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one

(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one (PubChem CID 66573674) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one
PubChem CID66573674
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one
SMILESO=C1CCC[C@H]([C@H](O)CO)N1
InChIInChI=1S/C7H13NO3/c9-4-6(10)5-2-1-3-7(11)8-5/h5-6,9-10H,1-4H2,(H,8,11)/t5-,6-/m1/s1
InChIKeyOBEHXWMPOZPTEM-PHDIDXHHSA-N
XLogP-0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one (CID 66573674) is (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one is O=C1CCC[C@H]([C@H](O)CO)N1.
What is the InChIKey of (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one?
The InChIKey is OBEHXWMPOZPTEM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO3/c9-4-6(10)5-2-1-3-7(11)8-5/h5-6,9-10H,1-4H2,(H,8,11)/t5-,6-/m1/s1.
What are the key properties of (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one?
(6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S)-1,2-dihydroxyethyl]piperidin-2-one is sourced from PubChem (CID 66573674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).