ethyl formate;piperidin-4-ol

C8H17NO3 — CID 158820537

IUPACethyl formate;piperidin-4-ol
SMILESCCOC=O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-5-3-4/h5-7H,1-4H2;3H,2H2,1H3
InChIKeyIVUSTUUEKIYNMC-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds2

About ethyl formate;piperidin-4-ol

ethyl formate;piperidin-4-ol (PubChem CID 158820537) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl formate;piperidin-4-ol.

Molecular Properties

Compound Nameethyl formate;piperidin-4-ol
PubChem CID158820537
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl formate;piperidin-4-ol
SMILESCCOC=O.OC1CCNCC1
InChIInChI=1S/C5H11NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-5-3-4/h5-7H,1-4H2;3H,2H2,1H3
InChIKeyIVUSTUUEKIYNMC-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropanol;ethyl formate
CID 157277391
ethyl formate;piperidine-4-carbaldehyde
CID 158189584
4-(2-bromoethyl)piperidine;ethyl formate
CID 174593815
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
ethyl formate;2-piperidin-4-ylphenol
CID 174485729
ethyl acetate;piperidin-4-ol;hydrochloride
CID 174311482
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
3-ethylcyclopentan-1-ol;ethyl formate
CID 157424984
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
1,7-diazacyclopentadecane-4,10,13-triol
CID 174313060

Frequently Asked Questions

What is the IUPAC name of ethyl formate;piperidin-4-ol?
The IUPAC name of ethyl formate;piperidin-4-ol (CID 158820537) is ethyl formate;piperidin-4-ol.
What is the SMILES notation for ethyl formate;piperidin-4-ol?
The canonical SMILES for ethyl formate;piperidin-4-ol is CCOC=O.OC1CCNCC1.
What is the InChIKey of ethyl formate;piperidin-4-ol?
The InChIKey is IVUSTUUEKIYNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-5-3-4/h5-7H,1-4H2;3H,2H2,1H3.
What are the key properties of ethyl formate;piperidin-4-ol?
ethyl formate;piperidin-4-ol has a molecular weight of 175.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;piperidin-4-ol is sourced from PubChem (CID 158820537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).