4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one

C15H29NO3 — CID 136558785

IUPAC4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
SMILESCCCCCCC(O)CCC(=O)N1CCCC(O)C1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-7-13(17)9-10-15(19)16-11-6-8-14(18)12-16/h13-14,17-18H,2-12H2,1H3
InChIKeyGVTPTOWPMNVQER-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.08
Rot. Bonds8

About 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one

4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one (PubChem CID 136558785) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
PubChem CID136558785
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
SMILESCCCCCCC(O)CCC(=O)N1CCCC(O)C1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-7-13(17)9-10-15(19)16-11-6-8-14(18)12-16/h13-14,17-18H,2-12H2,1H3
InChIKeyGVTPTOWPMNVQER-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.08
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

1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
3-hydroxy-1-pyrrolidin-1-yldodecan-1-one
CID 91717749
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
[1-[(4R)-4-hydroxyoctadecanoyl]pyrrolidin-2-yl]methyl octadecanoate
CID 174212754
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one?
The IUPAC name of 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one (CID 136558785) is 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one.
What is the SMILES notation for 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one?
The canonical SMILES for 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one is CCCCCCC(O)CCC(=O)N1CCCC(O)C1.
What is the InChIKey of 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one?
The InChIKey is GVTPTOWPMNVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-7-13(17)9-10-15(19)16-11-6-8-14(18)12-16/h13-14,17-18H,2-12H2,1H3.
What are the key properties of 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one?
4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one has a molecular weight of 271.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one is sourced from PubChem (CID 136558785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).