1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate

C16H23NO2 — CID 21279066

IUPAC1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate
SMILESCc1cc(C(C)OC(=O)C2CCCCC2)cc(C)n1
InChIInChI=1S/C16H23NO2/c1-11-9-15(10-12(2)17-11)13(3)19-16(18)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyDPZHHYLYNFIVAJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.88
Rot. Bonds3

About 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate

1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate (PubChem CID 21279066) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate
PubChem CID21279066
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate
SMILESCc1cc(C(C)OC(=O)C2CCCCC2)cc(C)n1
InChIInChI=1S/C16H23NO2/c1-11-9-15(10-12(2)17-11)13(3)19-16(18)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyDPZHHYLYNFIVAJ-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate (CID 21279066) is 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate is Cc1cc(C(C)OC(=O)C2CCCCC2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate?
The InChIKey is DPZHHYLYNFIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-15(10-12(2)17-11)13(3)19-16(18)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate?
1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)ethyl cyclohexanecarboxylate is sourced from PubChem (CID 21279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).