1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one

C13H25NO2 — CID 10846934

IUPAC1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one
SMILESCCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1
InChIInChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyGFVMHSQLCIEXNG-XQQFMLRXSA-N
MW227.35 g/mol
LogP2.03
Rot. Bonds6

About 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one

1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one (PubChem CID 10846934) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one
PubChem CID10846934
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one
SMILESCCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1
InChIInChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyGFVMHSQLCIEXNG-XQQFMLRXSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

12-((2S,5R,6R)-5-Hydroxy-6-methyl-2-piperidinyl)-2-dodecanone
CID 193405
Spectaline
CID 10404073
(-)-Spectaline
CID 10019240
Cassin
CID 575174
14-(5-Hydroxy-6-methyl-2-piperidinyl)-2-tetradecanone
CID 14312868
Andrachcinidine
CID 101056755
14-[(2R,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
CID 11381787
14-[(2S,5R,6R)-5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
CID 11393691
Prosafrinine
CID 42608373
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533
(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol
CID 162854790
(+)-Prosopinine
CID 442654

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one (CID 10846934) is 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one is CCC[C@H](O)C[C@H]1CCC[C@@H](CC(C)=O)N1.
What is the InChIKey of 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one?
The InChIKey is GFVMHSQLCIEXNG-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-13(16)9-12-7-4-6-11(14-12)8-10(2)15/h11-14,16H,3-9H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one?
1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 10846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).