ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate

C16H23NO2 — CID 2838039

IUPACethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(C)cc1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-6-4-5-11-17(15)12-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyHOPDZGGGOSHAEP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds4

About ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838039) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
PubChem CID2838039
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(C)cc1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-6-4-5-11-17(15)12-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyHOPDZGGGOSHAEP-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate (CID 2838039) is ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(C)cc1.
What is the InChIKey of ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is HOPDZGGGOSHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)15-6-4-5-11-17(15)12-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).