1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine

C15H22BrN — CID 107082938

IUPAC1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine
SMILESCc1cc(CBr)ccc1N1CCC(C)(C)CC1
InChIInChI=1S/C15H22BrN/c1-12-10-13(11-16)4-5-14(12)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyRLCZTWPKSHSVLK-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.52
Rot. Bonds2

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

1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine (PubChem CID 107082938) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine
PubChem CID107082938
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine
SMILESCc1cc(CBr)ccc1N1CCC(C)(C)CC1
InChIInChI=1S/C15H22BrN/c1-12-10-13(11-16)4-5-14(12)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9,11H2,1-3H3
InChIKeyRLCZTWPKSHSVLK-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine (CID 107082938) is 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine is Cc1cc(CBr)ccc1N1CCC(C)(C)CC1.
What is the InChIKey of 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine?
The InChIKey is RLCZTWPKSHSVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12-10-13(11-16)4-5-14(12)17-8-6-15(2,3)7-9-17/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine?
1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 107082938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).