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

C16H23NO2 — CID 764682

IUPACethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)14-8-10-17(11-9-14)12-15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyPIEWWGWNQPJQND-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 764682) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate
PubChem CID764682
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)14-8-10-17(11-9-14)12-15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyPIEWWGWNQPJQND-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate (CID 764682) is ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is PIEWWGWNQPJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)14-8-10-17(11-9-14)12-15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 764682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).