methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate

C11H18N2O2 — CID 62028861

IUPACmethyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCC#N
InChIInChI=1S/C11H18N2O2/c1-15-11(14)9-10-5-2-3-7-13(10)8-4-6-12/h10H,2-5,7-9H2,1H3
InChIKeyJUFAPOTXSCSWGS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate

methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate (PubChem CID 62028861) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
PubChem CID62028861
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCC#N
InChIInChI=1S/C11H18N2O2/c1-15-11(14)9-10-5-2-3-7-13(10)8-4-6-12/h10H,2-5,7-9H2,1H3
InChIKeyJUFAPOTXSCSWGS-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate (CID 62028861) is methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CCC#N.
What is the InChIKey of methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate?
The InChIKey is JUFAPOTXSCSWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11(14)9-10-5-2-3-7-13(10)8-4-6-12/h10H,2-5,7-9H2,1H3.
What are the key properties of methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate has a molecular weight of 210.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 62028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).