ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate

C17H25NO5 — CID 2838426

IUPACethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C17H25NO5/c1-4-23-17(20)13-6-5-7-18(11-13)10-12-8-14(21-2)16(19)15(9-12)22-3/h8-9,13,19H,4-7,10-11H2,1-3H3
InChIKeyUYHHBIMZDYSKCQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.18
Rot. Bonds6

About ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate (PubChem CID 2838426) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate
PubChem CID2838426
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nameethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1
InChIInChI=1S/C17H25NO5/c1-4-23-17(20)13-6-5-7-18(11-13)10-12-8-14(21-2)16(19)15(9-12)22-3/h8-9,13,19H,4-7,10-11H2,1-3H3
InChIKeyUYHHBIMZDYSKCQ-UHFFFAOYSA-N
XLogP2.18
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate (CID 2838426) is ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1.
What is the InChIKey of ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is UYHHBIMZDYSKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-4-23-17(20)13-6-5-7-18(11-13)10-12-8-14(21-2)16(19)15(9-12)22-3/h8-9,13,19H,4-7,10-11H2,1-3H3.
What are the key properties of ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2838426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).