ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate

C15H20ClNO2 — CID 56746077

IUPACethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2Cl)CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-14(18)15(7-9-17-10-8-15)11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3
InChIKeyIOPUTNXTDDFLMP-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.82
Rot. Bonds4

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

ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 56746077) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate
PubChem CID56746077
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2Cl)CCNCC1
InChIInChI=1S/C15H20ClNO2/c1-2-19-14(18)15(7-9-17-10-8-15)11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3
InChIKeyIOPUTNXTDDFLMP-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate (CID 56746077) is ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2ccccc2Cl)CCNCC1.
What is the InChIKey of ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is IOPUTNXTDDFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-14(18)15(7-9-17-10-8-15)11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate?
ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 281.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 56746077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).