ethyl formate;2-piperidin-4-ylphenol

C14H21NO3 — CID 174485729

IUPACethyl formate;2-piperidin-4-ylphenol
SMILESCCOC=O.Oc1ccccc1C1CCNCC1
InChIInChI=1S/C11H15NO.C3H6O2/c13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;1-2-5-3-4/h1-4,9,12-13H,5-8H2;3H,2H2,1H3
InChIKeyJJKFAJZGCZJIMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds3

About ethyl formate;2-piperidin-4-ylphenol

ethyl formate;2-piperidin-4-ylphenol (PubChem CID 174485729) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl formate;2-piperidin-4-ylphenol.

Molecular Properties

Compound Nameethyl formate;2-piperidin-4-ylphenol
PubChem CID174485729
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl formate;2-piperidin-4-ylphenol
SMILESCCOC=O.Oc1ccccc1C1CCNCC1
InChIInChI=1S/C11H15NO.C3H6O2/c13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;1-2-5-3-4/h1-4,9,12-13H,5-8H2;3H,2H2,1H3
InChIKeyJJKFAJZGCZJIMO-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
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

ethyl formate;piperidin-4-ol
CID 158820537
2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole;ethyl formate
CID 158599107
ethyl formate;piperidine-4-carbaldehyde
CID 158189584
ethyl formate;ethyl 3-nitro-4-piperidin-4-ylbenzoate
CID 174685959
4-(2-diethoxyphosphorylphenyl)piperidine
CID 23018720
diethyl-(2-piperidin-4-ylphenyl)phosphane
CID 174429999
2-ethyl-5-methyl-4-piperidin-4-ylphenol
CID 117313060
4-(2-diethylphosphorylphenyl)piperidine
CID 141020642
2-amino-3-piperidin-4-ylphenol
CID 117103764
4-(2-methoxyphenyl)piperidine
CID 544738
N,N-dimethyl-2-(2-piperidin-4-ylphenoxy)acetamide;hydrochloride
CID 22622337
butyl formate;3-phenylpyrrolidine
CID 87716907

Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-piperidin-4-ylphenol?
The IUPAC name of ethyl formate;2-piperidin-4-ylphenol (CID 174485729) is ethyl formate;2-piperidin-4-ylphenol.
What is the SMILES notation for ethyl formate;2-piperidin-4-ylphenol?
The canonical SMILES for ethyl formate;2-piperidin-4-ylphenol is CCOC=O.Oc1ccccc1C1CCNCC1.
What is the InChIKey of ethyl formate;2-piperidin-4-ylphenol?
The InChIKey is JJKFAJZGCZJIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C3H6O2/c13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;1-2-5-3-4/h1-4,9,12-13H,5-8H2;3H,2H2,1H3.
What are the key properties of ethyl formate;2-piperidin-4-ylphenol?
ethyl formate;2-piperidin-4-ylphenol has a molecular weight of 251.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-piperidin-4-ylphenol is sourced from PubChem (CID 174485729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).