ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate

C17H25NO3 — CID 3243816

IUPACethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C17H25NO3/c1-5-21-16(19)18-8-6-17(20,7-9-18)15-11-13(3)12(2)10-14(15)4/h10-11,20H,5-9H2,1-4H3
InChIKeyFUFQVGBSPOWCPE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.05
Rot. Bonds2

About ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate

ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate (PubChem CID 3243816) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
PubChem CID3243816
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C17H25NO3/c1-5-21-16(19)18-8-6-17(20,7-9-18)15-11-13(3)12(2)10-14(15)4/h10-11,20H,5-9H2,1-4H3
InChIKeyFUFQVGBSPOWCPE-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate (CID 3243816) is ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate?
The InChIKey is FUFQVGBSPOWCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-21-16(19)18-8-6-17(20,7-9-18)15-11-13(3)12(2)10-14(15)4/h10-11,20H,5-9H2,1-4H3.
What are the key properties of ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate?
ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 3243816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).