methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate

C11H18N2O2 — CID 83848798

IUPACmethyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate
SMILESCCC1C(CC#N)CCCN1C(=O)OC
InChIInChI=1S/C11H18N2O2/c1-3-10-9(6-7-12)5-4-8-13(10)11(14)15-2/h9-10H,3-6,8H2,1-2H3
InChIKeyBUDUURINBOCRRF-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.16
Rot. Bonds2

About methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate

methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate (PubChem CID 83848798) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate
PubChem CID83848798
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate
SMILESCCC1C(CC#N)CCCN1C(=O)OC
InChIInChI=1S/C11H18N2O2/c1-3-10-9(6-7-12)5-4-8-13(10)11(14)15-2/h9-10H,3-6,8H2,1-2H3
InChIKeyBUDUURINBOCRRF-UHFFFAOYSA-N
XLogP2.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate (CID 83848798) is methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate is CCC1C(CC#N)CCCN1C(=O)OC.
What is the InChIKey of methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate?
The InChIKey is BUDUURINBOCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10-9(6-7-12)5-4-8-13(10)11(14)15-2/h9-10H,3-6,8H2,1-2H3.
What are the key properties of methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate?
methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 83848798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).