4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine

C15H22BrNO — CID 141093726

IUPAC4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2ccc(Br)cc2)CC(C)(C)N1
InChIInChI=1S/C15H22BrNO/c1-14(2)9-13(10-15(3,4)17-14)18-12-7-5-11(16)6-8-12/h5-8,13,17H,9-10H2,1-4H3
InChIKeyWJGOVGASIXIIFZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.14
Rot. Bonds2

About 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine

4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine (PubChem CID 141093726) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine
PubChem CID141093726
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2ccc(Br)cc2)CC(C)(C)N1
InChIInChI=1S/C15H22BrNO/c1-14(2)9-13(10-15(3,4)17-14)18-12-7-5-11(16)6-8-12/h5-8,13,17H,9-10H2,1-4H3
InChIKeyWJGOVGASIXIIFZ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine 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

3-(4-bromophenoxy)-1-methylcyclobutane-1-carboxylic acid
CID 177227757
2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine
CID 121244634
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
CID 118560278
1-bromo-4-cyclopropyloxybenzene
CID 50998694
4-(3-chloro-4-fluorophenoxy)-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 67045904
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
1-bromo-4-cyclopentyloxybenzene
CID 22599958
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
2,2,6,6-tetramethyl-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-[2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphenyl]propan-2-yl]phenyl]piperidine
CID 56623787
1-bromo-4-(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
CID 66343574
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) silicate
CID 18781767
4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
CID 139317266

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine (CID 141093726) is 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine is CC1(C)CC(Oc2ccc(Br)cc2)CC(C)(C)N1.
What is the InChIKey of 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine?
The InChIKey is WJGOVGASIXIIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-14(2)9-13(10-15(3,4)17-14)18-12-7-5-11(16)6-8-12/h5-8,13,17H,9-10H2,1-4H3.
What are the key properties of 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine?
4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine has a molecular weight of 312.25 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 141093726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).