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

C14H19BrClN — CID 107084249

IUPAC1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(c2ccc(Cl)cc2CBr)C1
InChIInChI=1S/C14H19BrClN/c1-10-3-4-11(2)17(9-10)14-6-5-13(16)7-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyFCDKFZYTIAQRCS-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.86
Rot. Bonds2

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

1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine (PubChem CID 107084249) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
PubChem CID107084249
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(c2ccc(Cl)cc2CBr)C1
InChIInChI=1S/C14H19BrClN/c1-10-3-4-11(2)17(9-10)14-6-5-13(16)7-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyFCDKFZYTIAQRCS-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
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

N-[[4-chloro-2-(2,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114852030
[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 114061417
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
CID 107084241
1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055090
4-[2-(bromomethyl)-5-chlorophenyl]-3-methylthiomorpholine
CID 107083869
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
1-[2-(bromomethyl)-5-chlorophenyl]-3,4-dimethylpiperidine
CID 107085230
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
4-[2-(bromomethyl)-5-chlorophenyl]-1,2-dimethylpiperazine
CID 107083518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine (CID 107084249) is 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine is CC1CCC(C)N(c2ccc(Cl)cc2CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine?
The InChIKey is FCDKFZYTIAQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10-3-4-11(2)17(9-10)14-6-5-13(16)7-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine?
1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine has a molecular weight of 316.67 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine is sourced from PubChem (CID 107084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).