(1-hydroxypiperidin-4-yl) octanoate

C13H25NO3 — CID 21019115

IUPAC(1-hydroxypiperidin-4-yl) octanoate
SMILESCCCCCCCC(=O)OC1CCN(O)CC1
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-7-13(15)17-12-8-10-14(16)11-9-12/h12,16H,2-11H2,1H3
InChIKeyJYJIIBVEFLRANO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds7

About (1-hydroxypiperidin-4-yl) octanoate

(1-hydroxypiperidin-4-yl) octanoate (PubChem CID 21019115) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1-hydroxypiperidin-4-yl) octanoate.

Molecular Properties

Compound Name(1-hydroxypiperidin-4-yl) octanoate
PubChem CID21019115
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(1-hydroxypiperidin-4-yl) octanoate
SMILESCCCCCCCC(=O)OC1CCN(O)CC1
InChIInChI=1S/C13H25NO3/c1-2-3-4-5-6-7-13(15)17-12-8-10-14(16)11-9-12/h12,16H,2-11H2,1H3
InChIKeyJYJIIBVEFLRANO-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl decanoate
CID 154321154
cyclobutyl pentadecanoate
CID 46229794
(1-methylpiperidin-4-yl) (Z)-octadec-9-enoate
CID 141487314
(4-hexadecanoyloxycyclohexyl) (Z)-octadec-9-enoate
CID 101255387
[4-[(Z)-octadec-9-enoyl]oxycyclohexyl] (Z)-octadec-9-enoate
CID 101255389
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
piperidin-4-yl pentanoate
CID 45091374
(1,1-dimethylazepan-1-ium-4-yl) octadecanoate
CID 110188471
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 102152298
(2,3,4,5,6-pentahydroxycyclohexyl) dodecanoate
CID 164776701
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 101479757
[(3S)-1-methylpyrrolidin-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
CID 134350272

Frequently Asked Questions

What is the IUPAC name of (1-hydroxypiperidin-4-yl) octanoate?
The IUPAC name of (1-hydroxypiperidin-4-yl) octanoate (CID 21019115) is (1-hydroxypiperidin-4-yl) octanoate.
What is the SMILES notation for (1-hydroxypiperidin-4-yl) octanoate?
The canonical SMILES for (1-hydroxypiperidin-4-yl) octanoate is CCCCCCCC(=O)OC1CCN(O)CC1.
What is the InChIKey of (1-hydroxypiperidin-4-yl) octanoate?
The InChIKey is JYJIIBVEFLRANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-13(15)17-12-8-10-14(16)11-9-12/h12,16H,2-11H2,1H3.
What are the key properties of (1-hydroxypiperidin-4-yl) octanoate?
(1-hydroxypiperidin-4-yl) octanoate has a molecular weight of 243.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxypiperidin-4-yl) octanoate is sourced from PubChem (CID 21019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).