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

C15H19Cl2NO2 — CID 2838467

IUPACethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-6-7-12(16)9-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyYQLDPRGQJRYRBX-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.91
Rot. Bonds4

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

ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838467) 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-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate
PubChem CID2838467
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Nameethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-6-7-12(16)9-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyYQLDPRGQJRYRBX-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
Ethyl 1-(2,6-dichlorobenzyl)-3-piperidinecarboxylate
CID 2846100
1-Piperidineacetic acid, alpha-(p-chlorobenzyl)-, methyl ester, hydrobromide
CID 201851
1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester
CID 202139
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, decyl ester
CID 6445833
Piperidinium, 1-(carboxymethyl)-1-(4-(o-chlorophenyl)-2-butenyl)-, chloride, octyl ester
CID 6445940
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, pentyl ester
CID 6446589
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, hexyl ester
CID 6446591
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, heptyl ester
CID 6446593
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, octyl ester
CID 6446595
Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, nonyl ester
CID 6446597

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate (CID 2838467) is ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is YQLDPRGQJRYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-6-7-12(16)9-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3.
What are the key properties of ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 316.23 g/mol, XLogP of 3.91, 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-2-carboxylate is sourced from PubChem (CID 2838467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).