ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate

C16H23NO3 — CID 56742025

IUPACethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCNCC1
InChIInChI=1S/C16H23NO3/c1-3-20-15(18)16(7-9-17-10-8-16)12-13-5-4-6-14(11-13)19-2/h4-6,11,17H,3,7-10,12H2,1-2H3
InChIKeyIEDYJVFJOANRAK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds5

About ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate

ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate (PubChem CID 56742025) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
PubChem CID56742025
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(OC)c2)CCNCC1
InChIInChI=1S/C16H23NO3/c1-3-20-15(18)16(7-9-17-10-8-16)12-13-5-4-6-14(11-13)19-2/h4-6,11,17H,3,7-10,12H2,1-2H3
InChIKeyIEDYJVFJOANRAK-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate (CID 56742025) is ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCNCC1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is IEDYJVFJOANRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15(18)16(7-9-17-10-8-16)12-13-5-4-6-14(11-13)19-2/h4-6,11,17H,3,7-10,12H2,1-2H3.
What are the key properties of ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate?
ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 56742025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).