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

C21H25Cl2NO — CID 52949474

IUPAC(2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H25Cl2NO/c1-25-15-18(17-10-11-19(22)20(23)13-17)21-9-5-6-12-24(21)14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,18,21H,5-6,9,12,14-15H2,1H3/t18-,21-/m1/s1
InChIKeyZKFLDLDLCDHCEV-WIYYLYMNSA-N
MW378.34 g/mol
LogP5.78
Rot. Bonds6

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

(2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine (PubChem CID 52949474) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
PubChem CID52949474
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name(2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H25Cl2NO/c1-25-15-18(17-10-11-19(22)20(23)13-17)21-9-5-6-12-24(21)14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,18,21H,5-6,9,12,14-15H2,1H3/t18-,21-/m1/s1
InChIKeyZKFLDLDLCDHCEV-WIYYLYMNSA-N
XLogP5.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-benzyl-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The IUPAC name of (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine (CID 52949474) is (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The canonical SMILES for (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine is COC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
The InChIKey is ZKFLDLDLCDHCEV-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-25-15-18(17-10-11-19(22)20(23)13-17)21-9-5-6-12-24(21)14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,18,21H,5-6,9,12,14-15H2,1H3/t18-,21-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine?
(2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine has a molecular weight of 378.34 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[(1R)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine is sourced from PubChem (CID 52949474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).