2-(3-hydroxypiperidin-3-yl)ethyl formate

C8H15NO3 — CID 175230567

IUPAC2-(3-hydroxypiperidin-3-yl)ethyl formate
SMILESO=COCCC1(O)CCCNC1
InChIInChI=1S/C8H15NO3/c10-7-12-5-3-8(11)2-1-4-9-6-8/h7,9,11H,1-6H2
InChIKeyAUMOIFQOTNEARR-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.34
Rot. Bonds4

About 2-(3-hydroxypiperidin-3-yl)ethyl formate

2-(3-hydroxypiperidin-3-yl)ethyl formate (PubChem CID 175230567) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-3-yl)ethyl formate
PubChem CID175230567
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(3-hydroxypiperidin-3-yl)ethyl formate
SMILESO=COCCC1(O)CCCNC1
InChIInChI=1S/C8H15NO3/c10-7-12-5-3-8(11)2-1-4-9-6-8/h7,9,11H,1-6H2
InChIKeyAUMOIFQOTNEARR-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylsulfonylethyl)piperidin-3-ol
CID 65145784
2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
CID 174966990
2-(1-piperidin-3-ylcyclopropyl)ethyl formate
CID 174580733
4-[(3-hydroxypiperidin-3-yl)methyl]benzaldehyde
CID 105474116
3-(2,2-dimethylpropyl)piperidin-3-ol
CID 83682912
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
2-[4-(cyclobutylmethyl)piperidin-4-yl]ethyl formate
CID 174624567
3-[[ethyl(methyl)amino]methyl]piperidin-3-ol
CID 126971368
(3S)-3-(phenoxymethyl)piperidin-3-ol
CID 129366036
2-azaspiro[4.5]decane;ethyl formate
CID 144702388
3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-3-yl)ethyl formate?
The IUPAC name of 2-(3-hydroxypiperidin-3-yl)ethyl formate (CID 175230567) is 2-(3-hydroxypiperidin-3-yl)ethyl formate.
What is the SMILES notation for 2-(3-hydroxypiperidin-3-yl)ethyl formate?
The canonical SMILES for 2-(3-hydroxypiperidin-3-yl)ethyl formate is O=COCCC1(O)CCCNC1.
What is the InChIKey of 2-(3-hydroxypiperidin-3-yl)ethyl formate?
The InChIKey is AUMOIFQOTNEARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-7-12-5-3-8(11)2-1-4-9-6-8/h7,9,11H,1-6H2.
What are the key properties of 2-(3-hydroxypiperidin-3-yl)ethyl formate?
2-(3-hydroxypiperidin-3-yl)ethyl formate has a molecular weight of 173.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-3-yl)ethyl formate is sourced from PubChem (CID 175230567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).