1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine

C15H21BrClN3O — CID 66195593

IUPAC1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
SMILESClc1ccc(OCCN2CC(N3CCNCC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrClN3O/c16-14-9-12(17)1-2-15(14)21-8-7-19-10-13(11-19)20-5-3-18-4-6-20/h1-2,9,13,18H,3-8,10-11H2
InChIKeySIWGZYAXDCINKT-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine

1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine (PubChem CID 66195593) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
PubChem CID66195593
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC Name1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
SMILESClc1ccc(OCCN2CC(N3CCNCC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrClN3O/c16-14-9-12(17)1-2-15(14)21-8-7-19-10-13(11-19)20-5-3-18-4-6-20/h1-2,9,13,18H,3-8,10-11H2
InChIKeySIWGZYAXDCINKT-UHFFFAOYSA-N
XLogP2.07
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
CID 119924404
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
CID 66196373
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779623
1-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]piperazine
CID 107658281
1-[2-(4-bromo-2-chloro-5-fluorophenoxy)ethyl]piperazine
CID 114270917
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine (CID 66195593) is 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine is Clc1ccc(OCCN2CC(N3CCNCC3)C2)c(Br)c1.
What is the InChIKey of 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine?
The InChIKey is SIWGZYAXDCINKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c16-14-9-12(17)1-2-15(14)21-8-7-19-10-13(11-19)20-5-3-18-4-6-20/h1-2,9,13,18H,3-8,10-11H2.
What are the key properties of 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine?
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine has a molecular weight of 374.71 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66195593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).