2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol

C14H21BrN2O2 — CID 171278504

IUPAC2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
SMILESCC[C@@H](c1cc(Br)c(O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C14H21BrN2O2/c1-3-12(17-6-4-16-5-7-17)10-8-11(15)14(18)13(9-10)19-2/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyNJZXVKZQXWBDNP-LBPRGKRZSA-N
MW329.24 g/mol
LogP2.52
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol

2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol (PubChem CID 171278504) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
PubChem CID171278504
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
SMILESCC[C@@H](c1cc(Br)c(O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C14H21BrN2O2/c1-3-12(17-6-4-16-5-7-17)10-8-11(15)14(18)13(9-10)19-2/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyNJZXVKZQXWBDNP-LBPRGKRZSA-N
XLogP2.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]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

2-bromo-4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171278511
2-bromo-6-methoxy-4-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307896
(3R)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306856
2-bromo-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171291164
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171182345
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
3-bromo-6-methoxy-2-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171298637
2-bromo-4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]-6-ethoxyphenol
CID 171180020
4-(2-amino-1-pyrrolidin-1-ylethyl)-2-bromo-6-methoxyphenol
CID 16792754
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
2-bromo-6-ethoxy-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302823
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 61006005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol (CID 171278504) is 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol is CC[C@@H](c1cc(Br)c(O)c(OC)c1)N1CCNCC1.
What is the InChIKey of 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol?
The InChIKey is NJZXVKZQXWBDNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-12(17-6-4-16-5-7-17)10-8-11(15)14(18)13(9-10)19-2/h8-9,12,16,18H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol?
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol has a molecular weight of 329.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171278504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).