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

C16H23NO3 — CID 3679273

IUPACethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(OC)cc2)CCCNC1
InChIInChI=1S/C16H23NO3/c1-3-20-15(18)16(9-4-10-17-12-16)11-13-5-7-14(19-2)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyHFARJMLZICMEDM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds5

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

ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate (PubChem CID 3679273) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate
PubChem CID3679273
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(OC)cc2)CCCNC1
InChIInChI=1S/C16H23NO3/c1-3-20-15(18)16(9-4-10-17-12-16)11-13-5-7-14(19-2)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyHFARJMLZICMEDM-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 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate (CID 3679273) is ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccc(OC)cc2)CCCNC1.
What is the InChIKey of ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is HFARJMLZICMEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15(18)16(9-4-10-17-12-16)11-13-5-7-14(19-2)8-6-13/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate?
ethyl 3-[(4-methoxyphenyl)methyl]piperidine-3-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 3-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 3679273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).