4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol

C17H25BrN2O2 — CID 11199492

IUPAC4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
SMILESOC1(C(CN2CCNCC2)c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C17H25BrN2O2/c18-15-3-1-2-14(12-15)16(13-20-8-6-19-7-9-20)17(21)4-10-22-11-5-17/h1-3,12,16,19,21H,4-11,13H2
InChIKeyXXMSJYKEEMKSFN-UHFFFAOYSA-N
MW369.30 g/mol
LogP1.98
Rot. Bonds4

About 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol

4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol (PubChem CID 11199492) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol.

Molecular Properties

Compound Name4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
PubChem CID11199492
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
SMILESOC1(C(CN2CCNCC2)c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C17H25BrN2O2/c18-15-3-1-2-14(12-15)16(13-20-8-6-19-7-9-20)17(21)4-10-22-11-5-17/h1-3,12,16,19,21H,4-11,13H2
InChIKeyXXMSJYKEEMKSFN-UHFFFAOYSA-N
XLogP1.98
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol 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

4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
4-[2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylic acid
CID 91396303
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276
1-[1-(3-bromophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 68854149
1-[1-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexan-1-ol
CID 11717448
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
2-(3-bromophenyl)-3-ethyl-1-piperazin-1-ylpentan-3-ol
CID 11360223
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol?
The IUPAC name of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol (CID 11199492) is 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol.
What is the SMILES notation for 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol?
The canonical SMILES for 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol is OC1(C(CN2CCNCC2)c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol?
The InChIKey is XXMSJYKEEMKSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c18-15-3-1-2-14(12-15)16(13-20-8-6-19-7-9-20)17(21)4-10-22-11-5-17/h1-3,12,16,19,21H,4-11,13H2.
What are the key properties of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol?
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol has a molecular weight of 369.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol is sourced from PubChem (CID 11199492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).