(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine

C14H19Cl2NO — CID 52942344

IUPAC(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H19Cl2NO/c1-18-9-11(14-4-2-3-7-17-14)10-5-6-12(15)13(16)8-10/h5-6,8,11,14,17H,2-4,7,9H2,1H3/t11-,14-/m1/s1
InChIKeyJJZIIHYRMWUFJU-BXUZGUMPSA-N
MW288.22 g/mol
LogP3.87
Rot. Bonds4

About (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine

(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine (PubChem CID 52942344) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
PubChem CID52942344
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H19Cl2NO/c1-18-9-11(14-4-2-3-7-17-14)10-5-6-12(15)13(16)8-10/h5-6,8,11,14,17H,2-4,7,9H2,1H3/t11-,14-/m1/s1
InChIKeyJJZIIHYRMWUFJU-BXUZGUMPSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dichloromethylphenidate
CID 44296390
Ns-2359
CID 68470595
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
Rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24802842
6-(3,4-Dichlorophenyl)-1-[1-(methyloxy)-3-buten-1-YL]-3-azabicyclo[4.1.0]heptane (diastereomeric mix)
CID 49799108
6-(3,4-Dichlorophenyl)-1-[(ethyloxy)methyl]-3-azabicyclo[4.1.0]-heptane (enantiomeric mix)
CID 24803010
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025581
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025776
(1R,5S)-6-(butan-2-yloxymethyl)-6-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 25210872
(1S,5R)-6-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 25210874
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 45378248
Exo-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The IUPAC name of (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine (CID 52942344) is (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine.
What is the SMILES notation for (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The canonical SMILES for (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine is COC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The InChIKey is JJZIIHYRMWUFJU-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-18-9-11(14-4-2-3-7-17-14)10-5-6-12(15)13(16)8-10/h5-6,8,11,14,17H,2-4,7,9H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
(2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine has a molecular weight of 288.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine is sourced from PubChem (CID 52942344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).