(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one

C13H25NO2 — CID 11096340

IUPAC(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one
SMILESCCCCC[C@]1(CC(C)O)CCCC(=O)N1
InChIInChI=1S/C13H25NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h11,15H,3-10H2,1-2H3,(H,14,16)/t11?,13-/m1/s1
InChIKeyJOHRTUPLKDPXPB-GLGOKHISSA-N
MW227.35 g/mol
LogP2.38
Rot. Bonds6

About (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one

(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one (PubChem CID 11096340) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one
PubChem CID11096340
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one
SMILESCCCCC[C@]1(CC(C)O)CCCC(=O)N1
InChIInChI=1S/C13H25NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h11,15H,3-10H2,1-2H3,(H,14,16)/t11?,13-/m1/s1
InChIKeyJOHRTUPLKDPXPB-GLGOKHISSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-oxopropyl)-6-pentylpiperidin-2-one
CID 10585296
6-hydroxy-6-pentylpiperidin-2-one
CID 139997948
3,3-dioctadecyl-azacycloundecane-2,11-dione
CID 54119776
4,4-dipentylcycloheptan-1-one
CID 54342464
1-nonyl-2-oxocyclopentane-1-carbonitrile
CID 65392753
2-ethyl-4-azaspiro[2.5]octan-5-one
CID 11491966
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
2-butyl-2-hexylpyrrolidine
CID 174534205
(6S)-6-(1-hydroxybut-3-enyl)-6-[(E,4R)-oct-2-en-4-yl]piperidin-2-one
CID 11460154
2,2,6,6-tetrabutylpiperidine
CID 22415175
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
hexadecane;pyrrolidin-2-one
CID 158475613

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one?
The IUPAC name of (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one (CID 11096340) is (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one.
What is the SMILES notation for (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one?
The canonical SMILES for (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one is CCCCC[C@]1(CC(C)O)CCCC(=O)N1.
What is the InChIKey of (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one?
The InChIKey is JOHRTUPLKDPXPB-GLGOKHISSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-8-13(10-11(2)15)9-6-7-12(16)14-13/h11,15H,3-10H2,1-2H3,(H,14,16)/t11?,13-/m1/s1.
What are the key properties of (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one?
(6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-hydroxypropyl)-6-pentylpiperidin-2-one is sourced from PubChem (CID 11096340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).