ethyl formate;1-phenylpiperidine

C14H21NO2 — CID 174893706

IUPACethyl formate;1-phenylpiperidine
SMILESCCOC=O.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C3H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4/h1,3-4,7-8H,2,5-6,9-10H2;3H,2H2,1H3
InChIKeyRYAOMTQBDZHTHQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds3

About ethyl formate;1-phenylpiperidine

ethyl formate;1-phenylpiperidine (PubChem CID 174893706) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl formate;1-phenylpiperidine.

Molecular Properties

Compound Nameethyl formate;1-phenylpiperidine
PubChem CID174893706
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl formate;1-phenylpiperidine
SMILESCCOC=O.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C3H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4/h1,3-4,7-8H,2,5-6,9-10H2;3H,2H2,1H3
InChIKeyRYAOMTQBDZHTHQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl formate;1-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;1-phenylpiperidine
CID 174883082
ethane;methanol;1-phenylpiperidine
CID 177175072
[(E)-3-(4-piperidin-1-ylphenyl)prop-2-enyl] formate
CID 174381521
benzoic acid;ethyl formate
CID 158867459
butanamide;1-phenylpiperidine
CID 174698826
carbamic acid;1-phenylpiperidine
CID 161473217
1-phenylpiperidine;phosphenous acid
CID 174871848
2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
CID 154406169
bromomethylbenzene;ethyl formate
CID 160682480
methylcyclohexane;1-phenylpiperidine
CID 174582589
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449

Frequently Asked Questions

What is the IUPAC name of ethyl formate;1-phenylpiperidine?
The IUPAC name of ethyl formate;1-phenylpiperidine (CID 174893706) is ethyl formate;1-phenylpiperidine.
What is the SMILES notation for ethyl formate;1-phenylpiperidine?
The canonical SMILES for ethyl formate;1-phenylpiperidine is CCOC=O.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of ethyl formate;1-phenylpiperidine?
The InChIKey is RYAOMTQBDZHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C3H6O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-3-4/h1,3-4,7-8H,2,5-6,9-10H2;3H,2H2,1H3.
What are the key properties of ethyl formate;1-phenylpiperidine?
ethyl formate;1-phenylpiperidine has a molecular weight of 235.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1-phenylpiperidine is sourced from PubChem (CID 174893706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).