ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate

C17H25NO2 — CID 121318744

IUPACethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(c2ccnc(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)13(3)14-5-7-15(8-6-14)16-9-10-18-12(2)11-16/h9-11,13-15H,4-8H2,1-3H3
InChIKeySZTPWHOLZRSHAS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.86
Rot. Bonds4

About ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate

ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate (PubChem CID 121318744) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
PubChem CID121318744
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(c2ccnc(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)13(3)14-5-7-15(8-6-14)16-9-10-18-12(2)11-16/h9-11,13-15H,4-8H2,1-3H3
InChIKeySZTPWHOLZRSHAS-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate?
The IUPAC name of ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate (CID 121318744) is ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate?
The canonical SMILES for ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate is CCOC(=O)C(C)C1CCC(c2ccnc(C)c2)CC1.
What is the InChIKey of ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate?
The InChIKey is SZTPWHOLZRSHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17(19)13(3)14-5-7-15(8-6-14)16-9-10-18-12(2)11-16/h9-11,13-15H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate?
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate is sourced from PubChem (CID 121318744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).