4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol

C14H20BrNO — CID 82979917

IUPAC4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H20BrNO/c1-14(2)5-7-16(8-6-14)10-11-9-12(15)3-4-13(11)17/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyZKVOXMNIADXBRO-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.78
Rot. Bonds2

About 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol

4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol (PubChem CID 82979917) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
PubChem CID82979917
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2cc(Br)ccc2O)CC1
InChIInChI=1S/C14H20BrNO/c1-14(2)5-7-16(8-6-14)10-11-9-12(15)3-4-13(11)17/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyZKVOXMNIADXBRO-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol 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

4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
4-bromo-2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82979817
1-[4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 82974119
4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol
CID 82981617
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389
4-bromo-2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenol
CID 82979345
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1371435
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
CID 121200307

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol (CID 82979917) is 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol is CC1(C)CCN(Cc2cc(Br)ccc2O)CC1.
What is the InChIKey of 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is ZKVOXMNIADXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2)5-7-16(8-6-14)10-11-9-12(15)3-4-13(11)17/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82979917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).