(4-methylcyclohexyl) 2-pyridin-4-ylacetate

C14H19NO2 — CID 14890692

IUPAC(4-methylcyclohexyl) 2-pyridin-4-ylacetate
SMILESCC1CCC(OC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)17-14(16)10-12-6-8-15-9-7-12/h6-9,11,13H,2-5,10H2,1H3
InChIKeyNKAHXGOZOPYCMD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.75
Rot. Bonds3

About (4-methylcyclohexyl) 2-pyridin-4-ylacetate

(4-methylcyclohexyl) 2-pyridin-4-ylacetate (PubChem CID 14890692) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-pyridin-4-ylacetate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-pyridin-4-ylacetate
PubChem CID14890692
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-methylcyclohexyl) 2-pyridin-4-ylacetate
SMILESCC1CCC(OC(=O)Cc2ccncc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)17-14(16)10-12-6-8-15-9-7-12/h6-9,11,13H,2-5,10H2,1H3
InChIKeyNKAHXGOZOPYCMD-UHFFFAOYSA-N
XLogP2.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-pyridin-4-ylacetate?
The IUPAC name of (4-methylcyclohexyl) 2-pyridin-4-ylacetate (CID 14890692) is (4-methylcyclohexyl) 2-pyridin-4-ylacetate.
What is the SMILES notation for (4-methylcyclohexyl) 2-pyridin-4-ylacetate?
The canonical SMILES for (4-methylcyclohexyl) 2-pyridin-4-ylacetate is CC1CCC(OC(=O)Cc2ccncc2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-pyridin-4-ylacetate?
The InChIKey is NKAHXGOZOPYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)17-14(16)10-12-6-8-15-9-7-12/h6-9,11,13H,2-5,10H2,1H3.
What are the key properties of (4-methylcyclohexyl) 2-pyridin-4-ylacetate?
(4-methylcyclohexyl) 2-pyridin-4-ylacetate has a molecular weight of 233.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 2-pyridin-4-ylacetate is sourced from PubChem (CID 14890692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).