2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite

C18H29BrCl2N2O3 — CID 159152208

IUPAC2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite
SMILESCCC(O)(CC)C(CN1CCNCC1)c1ccc(OC)c(Br)c1.ClOCl
InChIInChI=1S/C18H29BrN2O2.Cl2O/c1-4-18(22,5-2)15(13-21-10-8-20-9-11-21)14-6-7-17(23-3)16(19)12-14;1-3-2/h6-7,12,15,20,22H,4-5,8-11,13H2,1-3H3;
InChIKeyKJLCOAPNSUPCPF-UHFFFAOYSA-N
MW472.25 g/mol
LogP4.31
Rot. Bonds7

About 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite

2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite (PubChem CID 159152208) has the molecular formula C18H29BrCl2N2O3 and a molecular weight of 472.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite
PubChem CID159152208
Molecular FormulaC18H29BrCl2N2O3
Molecular Weight472.25 g/mol
Exact Mass470.07
IUPAC Name2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite
SMILESCCC(O)(CC)C(CN1CCNCC1)c1ccc(OC)c(Br)c1.ClOCl
InChIInChI=1S/C18H29BrN2O2.Cl2O/c1-4-18(22,5-2)15(13-21-10-8-20-9-11-21)14-6-7-17(23-3)16(19)12-14;1-3-2/h6-7,12,15,20,22H,4-5,8-11,13H2,1-3H3;
InChIKeyKJLCOAPNSUPCPF-UHFFFAOYSA-N
XLogP4.31
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.25
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite 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-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
CID 11360223
1-(3-bromo-4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82309048
1-[(1S)-1-(3-bromo-4-methoxyphenyl)pentyl]piperazine
CID 171309147
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
(3S)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189570
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171176344
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-3-methylbutyl]piperazine
CID 171278085
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171290688
(3R)-3-(3-bromo-4-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306832
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
1-[(S)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171278079
1-[(S)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171290700

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite (CID 159152208) is 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite is CCC(O)(CC)C(CN1CCNCC1)c1ccc(OC)c(Br)c1.ClOCl.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite?
The InChIKey is KJLCOAPNSUPCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2O2.Cl2O/c1-4-18(22,5-2)15(13-21-10-8-20-9-11-21)14-6-7-17(23-3)16(19)12-14;1-3-2/h6-7,12,15,20,22H,4-5,8-11,13H2,1-3H3;.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite?
2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite has a molecular weight of 472.25 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol;chloro hypochlorite is sourced from PubChem (CID 159152208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).