1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol

C14H20BrNO — CID 117020892

IUPAC1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
SMILESCc1cc(N2CC(O)CCC2(C)C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-10-8-11(4-5-13(10)15)16-9-12(17)6-7-14(16,2)3/h4-5,8,12,17H,6-7,9H2,1-3H3
InChIKeyIHQWNZCQGCYNNH-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.50
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol

1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol (PubChem CID 117020892) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
PubChem CID117020892
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
SMILESCc1cc(N2CC(O)CCC2(C)C)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-10-8-11(4-5-13(10)15)16-9-12(17)6-7-14(16,2)3/h4-5,8,12,17H,6-7,9H2,1-3H3
InChIKeyIHQWNZCQGCYNNH-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
2-[4-(4-bromo-3-methylphenyl)-5,5-dimethyl-1,4-diazepan-2-yl]acetonitrile
CID 84610879
2-[1-(3-bromo-4-methylphenyl)-6,6-dimethylpiperidin-3-yl]acetonitrile
CID 117021410
1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017933
[1-(4-bromo-3-methylphenyl)-4,6,6-trimethylpiperazin-2-yl]methanamine
CID 84607272
(4R,7S)-2-(4-bromo-3-methylphenyl)-7-methyl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
CID 91381566
(1R,2R,6S,7R)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376421
10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 142660493
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303
4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91933162

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol (CID 117020892) is 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol is Cc1cc(N2CC(O)CCC2(C)C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol?
The InChIKey is IHQWNZCQGCYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-8-11(4-5-13(10)15)16-9-12(17)6-7-14(16,2)3/h4-5,8,12,17H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol?
1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol has a molecular weight of 298.22 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 117020892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).