2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol

C14H20BrClN2O — CID 170862555

IUPAC2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2cc(Cl)cc(Br)c2O)CC1
InChIInChI=1S/C14H20BrClN2O/c1-17-5-7-18(8-6-17)4-2-3-11-9-12(16)10-13(15)14(11)19/h9-10,19H,2-8H2,1H3
InChIKeyASYQMWYMZGGYKY-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.99
Rot. Bonds4

About 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol

2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol (PubChem CID 170862555) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
PubChem CID170862555
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
SMILESCN1CCN(CCCc2cc(Cl)cc(Br)c2O)CC1
InChIInChI=1S/C14H20BrClN2O/c1-17-5-7-18(8-6-17)4-2-3-11-9-12(16)10-13(15)14(11)19/h9-10,19H,2-8H2,1H3
InChIKeyASYQMWYMZGGYKY-UHFFFAOYSA-N
XLogP2.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrophenol
CID 170862554
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
CID 170863805
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propyl]-4-methylpiperazine
CID 170863355
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864182

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol (CID 170862555) is 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol is CN1CCN(CCCc2cc(Cl)cc(Br)c2O)CC1.
What is the InChIKey of 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol?
The InChIKey is ASYQMWYMZGGYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-17-5-7-18(8-6-17)4-2-3-11-9-12(16)10-13(15)14(11)19/h9-10,19H,2-8H2,1H3.
What are the key properties of 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol?
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol has a molecular weight of 347.68 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 170862555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).