ethane;ethyl formate;4-methylpiperidine

C11H25NO2 — CID 144570473

IUPACethane;ethyl formate;4-methylpiperidine
SMILESCC.CC1CCNCC1.CCOC=O
InChIInChI=1S/C6H13N.C3H6O2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyGJXWNAMJMKCXRL-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.21
Rot. Bonds2

About ethane;ethyl formate;4-methylpiperidine

ethane;ethyl formate;4-methylpiperidine (PubChem CID 144570473) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;ethyl formate;4-methylpiperidine.

Molecular Properties

Compound Nameethane;ethyl formate;4-methylpiperidine
PubChem CID144570473
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;ethyl formate;4-methylpiperidine
SMILESCC.CC1CCNCC1.CCOC=O
InChIInChI=1S/C6H13N.C3H6O2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyGJXWNAMJMKCXRL-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl formate;4-methylpiperidine?
The IUPAC name of ethane;ethyl formate;4-methylpiperidine (CID 144570473) is ethane;ethyl formate;4-methylpiperidine.
What is the SMILES notation for ethane;ethyl formate;4-methylpiperidine?
The canonical SMILES for ethane;ethyl formate;4-methylpiperidine is CC.CC1CCNCC1.CCOC=O.
What is the InChIKey of ethane;ethyl formate;4-methylpiperidine?
The InChIKey is GJXWNAMJMKCXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H6O2.C2H6/c1-6-2-4-7-5-3-6;1-2-5-3-4;1-2/h6-7H,2-5H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl formate;4-methylpiperidine?
ethane;ethyl formate;4-methylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl formate;4-methylpiperidine is sourced from PubChem (CID 144570473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).