1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone

C10H19NO2 — CID 91691684

IUPAC1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CC[C@H](O)CN1C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-4-9-5-6-10(13)7-11(9)8(2)12/h9-10,13H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyMMZIMNFISYOWRF-UWVGGRQHSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds2

About 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone

1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone (PubChem CID 91691684) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
PubChem CID91691684
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CC[C@H](O)CN1C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-4-9-5-6-10(13)7-11(9)8(2)12/h9-10,13H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyMMZIMNFISYOWRF-UWVGGRQHSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methylpseudoconhydrine
CID 11051917
(6S)-1-methyl-6-propylpiperidin-3-ol
CID 163189127
(3S,6R)-1-methyl-6-propylpiperidin-3-ol
CID 45083194
Diacetyl sphinganine
CID 129850767
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 56790692
2,2,2-trifluoro-1-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 153951885
3-Piperidinol, 1-acetyl-6-methyl-
CID 567635
N-Methylpseudoconhydrin
CID 85344433
N-[4-[2-(hydroxymethyl)piperidin-1-yl]but-2-ynyl]-N-methylacetamide
CID 14896495
2,2,2-Trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethan-1-one
CID 71412036
3,3,3-Trifluoro-1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79549257

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone (CID 91691684) is 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone is CCC[C@H]1CC[C@H](O)CN1C(C)=O.
What is the InChIKey of 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The InChIKey is MMZIMNFISYOWRF-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-9-5-6-10(13)7-11(9)8(2)12/h9-10,13H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone is sourced from PubChem (CID 91691684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).