ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride

C14H18Cl3NO2 — CID 52942607

IUPACethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H17Cl2NO2.ClH/c1-2-19-13(18)14(5-7-17-8-6-14)10-3-4-11(15)12(16)9-10;/h3-4,9,17H,2,5-8H2,1H3;1H
InChIKeyHJQBEBJKYGEVNO-UHFFFAOYSA-N
MW338.66 g/mol
LogP3.60
Rot. Bonds3

About ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride

ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 52942607) has the molecular formula C14H18Cl3NO2 and a molecular weight of 338.66 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
PubChem CID52942607
Molecular FormulaC14H18Cl3NO2
Molecular Weight338.66 g/mol
Exact Mass337.04
IUPAC Nameethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H17Cl2NO2.ClH/c1-2-19-13(18)14(5-7-17-8-6-14)10-3-4-11(15)12(16)9-10;/h3-4,9,17H,2,5-8H2,1H3;1H
InChIKeyHJQBEBJKYGEVNO-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.66
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride (CID 52942607) is ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCNCC1.Cl.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is HJQBEBJKYGEVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2.ClH/c1-2-19-13(18)14(5-7-17-8-6-14)10-3-4-11(15)12(16)9-10;/h3-4,9,17H,2,5-8H2,1H3;1H.
What are the key properties of ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride?
ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 338.66 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52942607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).