6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol

C14H21BrN2O — CID 117498633

IUPAC6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(Br)c(O)c(CCN2CCNCC2)c1C
InChIInChI=1S/C14H21BrN2O/c1-10-9-13(15)14(18)12(11(10)2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyMWUUFKYKCUDWFU-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.22
Rot. Bonds3

About 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol

6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol (PubChem CID 117498633) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
PubChem CID117498633
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
SMILESCc1cc(Br)c(O)c(CCN2CCNCC2)c1C
InChIInChI=1S/C14H21BrN2O/c1-10-9-13(15)14(18)12(11(10)2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyMWUUFKYKCUDWFU-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117390237
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
CID 117403959
3,4,6-trifluoro-2-(2-piperazin-1-ylethyl)phenol
CID 117404481
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol (CID 117498633) is 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol is Cc1cc(Br)c(O)c(CCN2CCNCC2)c1C.
What is the InChIKey of 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
The InChIKey is MWUUFKYKCUDWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-9-13(15)14(18)12(11(10)2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3.
What are the key properties of 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol?
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol has a molecular weight of 313.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).