propyl 4-ethylpiperidine-4-carboxylate

C11H21NO2 — CID 63125915

IUPACpropyl 4-ethylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(CC)CCNCC1
InChIInChI=1S/C11H21NO2/c1-3-9-14-10(13)11(4-2)5-7-12-8-6-11/h12H,3-9H2,1-2H3
InChIKeyYFWNDGXFBUGWKS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About propyl 4-ethylpiperidine-4-carboxylate

propyl 4-ethylpiperidine-4-carboxylate (PubChem CID 63125915) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 4-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 4-ethylpiperidine-4-carboxylate
PubChem CID63125915
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 4-ethylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(CC)CCNCC1
InChIInChI=1S/C11H21NO2/c1-3-9-14-10(13)11(4-2)5-7-12-8-6-11/h12H,3-9H2,1-2H3
InChIKeyYFWNDGXFBUGWKS-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 4-ethylpiperidine-4-carboxylate?
The IUPAC name of propyl 4-ethylpiperidine-4-carboxylate (CID 63125915) is propyl 4-ethylpiperidine-4-carboxylate.
What is the SMILES notation for propyl 4-ethylpiperidine-4-carboxylate?
The canonical SMILES for propyl 4-ethylpiperidine-4-carboxylate is CCCOC(=O)C1(CC)CCNCC1.
What is the InChIKey of propyl 4-ethylpiperidine-4-carboxylate?
The InChIKey is YFWNDGXFBUGWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-14-10(13)11(4-2)5-7-12-8-6-11/h12H,3-9H2,1-2H3.
What are the key properties of propyl 4-ethylpiperidine-4-carboxylate?
propyl 4-ethylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 63125915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).