[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate

C14H20N2O2 — CID 166207586

IUPAC[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate
SMILESCN(C)c1cc(COC(=O)C2CCCC2)ccn1
InChIInChI=1S/C14H20N2O2/c1-16(2)13-9-11(7-8-15-13)10-18-14(17)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyVFYFOTAFYYRDLW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds4

About [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate

[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate (PubChem CID 166207586) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate
PubChem CID166207586
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate
SMILESCN(C)c1cc(COC(=O)C2CCCC2)ccn1
InChIInChI=1S/C14H20N2O2/c1-16(2)13-9-11(7-8-15-13)10-18-14(17)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyVFYFOTAFYYRDLW-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate (CID 166207586) is [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate is CN(C)c1cc(COC(=O)C2CCCC2)ccn1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate?
The InChIKey is VFYFOTAFYYRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)13-9-11(7-8-15-13)10-18-14(17)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate?
[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate is sourced from PubChem (CID 166207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).