(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one

C9H17NO3 — CID 102319350

IUPAC(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one
SMILESO=C1CCC[C@H](C[C@H](O)CCO)N1
InChIInChI=1S/C9H17NO3/c11-5-4-8(12)6-7-2-1-3-9(13)10-7/h7-8,11-12H,1-6H2,(H,10,13)/t7-,8-/m1/s1
InChIKeyIMZQMBJRMDMNLE-HTQZYQBOSA-N
MW187.24 g/mol
LogP-0.21
Rot. Bonds4

About (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one

(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one (PubChem CID 102319350) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one
PubChem CID102319350
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one
SMILESO=C1CCC[C@H](C[C@H](O)CCO)N1
InChIInChI=1S/C9H17NO3/c11-5-4-8(12)6-7-2-1-3-9(13)10-7/h7-8,11-12H,1-6H2,(H,10,13)/t7-,8-/m1/s1
InChIKeyIMZQMBJRMDMNLE-HTQZYQBOSA-N
XLogP-0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one (CID 102319350) is (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one is O=C1CCC[C@H](C[C@H](O)CCO)N1.
What is the InChIKey of (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one?
The InChIKey is IMZQMBJRMDMNLE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c11-5-4-8(12)6-7-2-1-3-9(13)10-7/h7-8,11-12H,1-6H2,(H,10,13)/t7-,8-/m1/s1.
What are the key properties of (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one?
(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one is sourced from PubChem (CID 102319350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).