5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

C10H19NO3 — CID 107877953

IUPAC5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESO=C(CCCCO)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO3/c12-7-2-1-5-10(14)11-6-3-4-9(13)8-11/h9,12-13H,1-8H2/t9-/m0/s1
InChIKeyPSMWKWSTGCHBBU-VIFPVBQESA-N
MW201.27 g/mol
LogP0.13
Rot. Bonds4

About 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (PubChem CID 107877953) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
PubChem CID107877953
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESO=C(CCCCO)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO3/c12-7-2-1-5-10(14)11-6-3-4-9(13)8-11/h9,12-13H,1-8H2/t9-/m0/s1
InChIKeyPSMWKWSTGCHBBU-VIFPVBQESA-N
XLogP0.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511505
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (CID 107877953) is 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is O=C(CCCCO)N1CCC[C@H](O)C1.
What is the InChIKey of 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is PSMWKWSTGCHBBU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-2-1-5-10(14)11-6-3-4-9(13)8-11/h9,12-13H,1-8H2/t9-/m0/s1.
What are the key properties of 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 107877953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).