4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine

C14H18BrCl2NO — CID 82690798

IUPAC4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(OCCBr)CC2)cc1Cl
InChIInChI=1S/C14H18BrCl2NO/c15-5-8-19-12-3-6-18(7-4-12)10-11-1-2-13(16)14(17)9-11/h1-2,9,12H,3-8,10H2
InChIKeyWCKTVDDCMFGJRL-UHFFFAOYSA-N
MW367.11 g/mol
LogP4.37
Rot. Bonds5

About 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine

4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine (PubChem CID 82690798) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine
PubChem CID82690798
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC Name4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine
SMILESClc1ccc(CN2CCC(OCCBr)CC2)cc1Cl
InChIInChI=1S/C14H18BrCl2NO/c15-5-8-19-12-3-6-18(7-4-12)10-11-1-2-13(16)14(17)9-11/h1-2,9,12H,3-8,10H2
InChIKeyWCKTVDDCMFGJRL-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine (CID 82690798) is 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine is Clc1ccc(CN2CCC(OCCBr)CC2)cc1Cl.
What is the InChIKey of 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine?
The InChIKey is WCKTVDDCMFGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c15-5-8-19-12-3-6-18(7-4-12)10-11-1-2-13(16)14(17)9-11/h1-2,9,12H,3-8,10H2.
What are the key properties of 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine?
4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine has a molecular weight of 367.11 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-[(3,4-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 82690798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).