ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate

C14H19NO4 — CID 46214205

IUPACethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C14H19NO4/c1-2-19-14(18)15-7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17H,2,5-8H2,1H3
InChIKeyVPACNKQSXRAZEC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.43
Rot. Bonds2

About ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate

ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate (PubChem CID 46214205) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
PubChem CID46214205
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccc(O)cc2O)CC1
InChIInChI=1S/C14H19NO4/c1-2-19-14(18)15-7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17H,2,5-8H2,1H3
InChIKeyVPACNKQSXRAZEC-UHFFFAOYSA-N
XLogP2.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 46215195
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
CID 67423273
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46215196
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
4-(2,4-dihydroxyphenyl)-N-[(2-methyl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 46241195
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
[[4-(2,4-dihydroxyphenyl)cyclohexyl]oxycarbonylamino] butanoate
CID 91298674
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
ethyl 4-[4-(5-methyl-1-benzothiophen-3-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 11740879
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate (CID 46214205) is ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2ccc(O)cc2O)CC1.
What is the InChIKey of ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is VPACNKQSXRAZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-14(18)15-7-5-10(6-8-15)12-4-3-11(16)9-13(12)17/h3-4,9-10,16-17H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate?
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 46214205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).