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

C15H19Cl2NO2 — CID 2056186

IUPACethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-7-18(8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyXBPJSTMTQLFAII-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.77
Rot. Bonds4

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

ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 2056186) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate
PubChem CID2056186
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Nameethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-7-18(8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyXBPJSTMTQLFAII-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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Related Compounds

Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-(3,4-dichlorobenzyl)-4-piperidinecarboxylate
CID 754129
Ethyl 1-(2-chloro-6-fluorobenzyl)-4-piperidinecarboxylate
CID 723339
Ethyl 1-(2-chlorobenzyl)piperidine-3-carboxylate
CID 2838273
4-(2,4-Dichlorobenzyl)-2,6-dimethylmorpholine
CID 2843289
Ethyl 1-(2-chloro-6-fluorobenzyl)-3-piperidinecarboxylate
CID 2845955
Ethyl 1-(2,6-dichlorobenzyl)-3-piperidinecarboxylate
CID 2846100
Ethyl 1-(4-chlorobenzyl)piperidine-3-carboxylate
CID 2838484
1-(4-Chlorobenzyl)piperidine-4-carboxylic acid
CID 3159620
Cambridge id 5423497
CID 782680
Butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 3044658
Ethyl 4-(4-(4-chloro-3-fluorophenyl)piperidin-1-yl)-n-butyrate
CID 17773062

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate (CID 2056186) is ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is XBPJSTMTQLFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-15(19)11-5-7-18(8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-4-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-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 2056186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).