ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate

C18H21NO3 — CID 15124802

IUPACethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H21NO3/c1-2-22-17(20)19-12-10-18(21,11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,21H,2,10-13H2,1H3
InChIKeyRCZNRTFGSCUKTH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.28
Rot. Bonds2

About ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate

ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate (PubChem CID 15124802) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
PubChem CID15124802
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H21NO3/c1-2-22-17(20)19-12-10-18(21,11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,21H,2,10-13H2,1H3
InChIKeyRCZNRTFGSCUKTH-UHFFFAOYSA-N
XLogP3.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-4-[2-(3-hydroxypropyl)phenyl]piperidine-1-carboxylate
CID 69136867
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
benzyl 4-[2-(2,6-dimethylphenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 143194856
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
benzyl 4-hydroxy-4-(2-methylsulfanylphenyl)piperidine-1-carboxylate
CID 18786306
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
CID 97411107
butyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 142687952
tert-butyl 4-(1-benzothiophen-7-yl)-4-hydroxypiperidine-1-carboxylate
CID 12045540
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
tert-butyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 10474870

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate (CID 15124802) is ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2cccc3ccccc23)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate?
The InChIKey is RCZNRTFGSCUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-22-17(20)19-12-10-18(21,11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,21H,2,10-13H2,1H3.
What are the key properties of ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate?
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.28, 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-naphthalen-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 15124802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).