1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one

C11H21NO3 — CID 107224835

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-5-11(14)12-6-3-4-10(13)9-12/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyFBHVNXGQTDJMQO-JTQLQIEISA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds5

About 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one (PubChem CID 107224835) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
PubChem CID107224835
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-5-11(14)12-6-3-4-10(13)9-12/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyFBHVNXGQTDJMQO-JTQLQIEISA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
3-(2,2-difluoroethoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224846
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
CID 102958903
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291781
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one (CID 107224835) is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one is CCCOCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one?
The InChIKey is FBHVNXGQTDJMQO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-7-15-8-5-11(14)12-6-3-4-10(13)9-12/h10,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one is sourced from PubChem (CID 107224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).