ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate

C15H21NO3 — CID 563051

IUPACethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12/h3-7,13-14,17H,2,8-11H2,1H3
InChIKeyMUPAPEDKCKNYLY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds4

About ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate

ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate (PubChem CID 563051) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
PubChem CID563051
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CCC1O
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12/h3-7,13-14,17H,2,8-11H2,1H3
InChIKeyMUPAPEDKCKNYLY-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
CID 102623
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
1-(4,4-Diphenyl-but-3-enyl)-4-hydroxy-piperidine-3-carboxylic acid
CID 10405703
3-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
CID 70576
Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 102624
Ethyl 1-(2-methylbenzyl)-3-piperidinecarboxylate
CID 2837947
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130
Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate
CID 107480
Methyl 1-benzylpiperidine-3-carboxylate
CID 10059878
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
CID 107479
alpha-(1-Benzyl-4-hydroxy-4-piperidyl)-gamma-butyrolactone
CID 3669269

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate (CID 563051) is ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)CCC1O.
What is the InChIKey of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
The InChIKey is MUPAPEDKCKNYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12/h3-7,13-14,17H,2,8-11H2,1H3.
What are the key properties of ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate?
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 563051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).