ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate

C15H19Cl2NO2 — CID 2846100

IUPACethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyFDPLJSZYGQPCAR-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.77
Rot. Bonds4

About ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 2846100) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate
PubChem CID2846100
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Nameethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyFDPLJSZYGQPCAR-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate (CID 2846100) is ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is FDPLJSZYGQPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 316.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2846100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).