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

C12H14BrCl2N — CID 107310040

IUPAC4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCC(Br)CC2)c1Cl
InChIInChI=1S/C12H14BrCl2N/c13-10-4-6-16(7-5-10)8-9-2-1-3-11(14)12(9)15/h1-3,10H,4-8H2
InChIKeyRWKVMRNCAJHFRR-UHFFFAOYSA-N
MW323.06 g/mol
LogP4.35
Rot. Bonds2

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

4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine (PubChem CID 107310040) has the molecular formula C12H14BrCl2N and a molecular weight of 323.06 g/mol. Its IUPAC name is 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
PubChem CID107310040
Molecular FormulaC12H14BrCl2N
Molecular Weight323.06 g/mol
Exact Mass320.97
IUPAC Name4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCC(Br)CC2)c1Cl
InChIInChI=1S/C12H14BrCl2N/c13-10-4-6-16(7-5-10)8-9-2-1-3-11(14)12(9)15/h1-3,10H,4-8H2
InChIKeyRWKVMRNCAJHFRR-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 66634297
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine?
The IUPAC name of 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine (CID 107310040) is 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine is Clc1cccc(CN2CCC(Br)CC2)c1Cl.
What is the InChIKey of 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine?
The InChIKey is RWKVMRNCAJHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2N/c13-10-4-6-16(7-5-10)8-9-2-1-3-11(14)12(9)15/h1-3,10H,4-8H2.
What are the key properties of 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine?
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine has a molecular weight of 323.06 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 107310040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).