1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine

C14H19BrClN — CID 107085230

IUPAC1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
SMILESCC1CCN(c2cc(Cl)ccc2CBr)CC1C
InChIInChI=1S/C14H19BrClN/c1-10-5-6-17(9-11(10)2)14-7-13(16)4-3-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyHXHWGMKEQQEYGO-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.72
Rot. Bonds2

About 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine

1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine (PubChem CID 107085230) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
PubChem CID107085230
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
SMILESCC1CCN(c2cc(Cl)ccc2CBr)CC1C
InChIInChI=1S/C14H19BrClN/c1-10-5-6-17(9-11(10)2)14-7-13(16)4-3-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyHXHWGMKEQQEYGO-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.72
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-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 114853729
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
4-[2-(bromomethyl)-5-chlorophenyl]-1,2-dimethylpiperazine
CID 107083518
1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine
CID 107085212
1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114853985
1-[2-(bromomethyl)-5-chlorophenyl]-4,4-dimethylazepane
CID 107084125
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
4-[2-(bromomethyl)-5-chlorophenyl]-3-methylthiomorpholine
CID 107083869
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine (CID 107085230) is 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine is CC1CCN(c2cc(Cl)ccc2CBr)CC1C.
What is the InChIKey of 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine?
The InChIKey is HXHWGMKEQQEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10-5-6-17(9-11(10)2)14-7-13(16)4-3-12(14)8-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine?
1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine has a molecular weight of 316.67 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine is sourced from PubChem (CID 107085230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).