ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate

C14H21NO2 — CID 20741917

IUPACethyl 4-cyclohexyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2CCCCC2)C=C1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3
InChIKeyKFPLSZVDXIFCMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.68
Rot. Bonds2

About ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate

ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate (PubChem CID 20741917) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclohexyl-4H-pyridine-1-carboxylate
PubChem CID20741917
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 4-cyclohexyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(C2CCCCC2)C=C1
InChIInChI=1S/C14H21NO2/c1-2-17-14(16)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3
InChIKeyKFPLSZVDXIFCMS-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-azaspiro[5.5]undeca-1,4-diene-3-carboxylate
CID 318263
Ethyl 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylate
CID 318262
ethyl 4-pentyl-4H-pyridine-1-carboxylate
CID 13418206
ethyl 4-isopropyl-3-methylpyridine-1(4H)-carboxylate
CID 90317966
ethyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12885280
Ethyl 4-hexylpyridine-1(4H)-carboxylate
CID 12885281
ethyl 4-butan-2-yl-4H-pyridine-1-carboxylate
CID 12885283
Ethyl 4-(2-oxocyclohexyl)pyridine-1(4H)-carboxylate
CID 13122730
ethyl 4-but-3-enyl-4H-pyridine-1-carboxylate
CID 15093743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate (CID 20741917) is ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(C2CCCCC2)C=C1.
What is the InChIKey of ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate?
The InChIKey is KFPLSZVDXIFCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14(16)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h8-13H,2-7H2,1H3.
What are the key properties of ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate?
ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 20741917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).