4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride

C18H30BrCl2N3O — CID 68855594

IUPAC4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2cccc(Br)c2)CC1.Cl.Cl
InChIInChI=1S/C18H28BrN3O.2ClH/c1-21-9-5-18(23,6-10-21)17(14-22-11-7-20-8-12-22)15-3-2-4-16(19)13-15;;/h2-4,13,17,20,23H,5-12,14H2,1H3;2*1H
InChIKeyASPYMFJFDJGDJT-UHFFFAOYSA-N
MW455.27 g/mol
LogP2.74
Rot. Bonds4

About 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride

4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride (PubChem CID 68855594) has the molecular formula C18H30BrCl2N3O and a molecular weight of 455.27 g/mol. Its IUPAC name is 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
PubChem CID68855594
Molecular FormulaC18H30BrCl2N3O
Molecular Weight455.27 g/mol
Exact Mass453.09
IUPAC Name4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2cccc(Br)c2)CC1.Cl.Cl
InChIInChI=1S/C18H28BrN3O.2ClH/c1-21-9-5-18(23,6-10-21)17(14-22-11-7-20-8-12-22)15-3-2-4-16(19)13-15;;/h2-4,13,17,20,23H,5-12,14H2,1H3;2*1H
InChIKeyASPYMFJFDJGDJT-UHFFFAOYSA-N
XLogP2.74
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride 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]oxan-4-ol
CID 11199492
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-[1-(3-bromophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 68854149
4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
CID 68855601
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-(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
1-[1-(4-bromothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;hydrochloride
CID 141128619
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride?
The IUPAC name of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride (CID 68855594) is 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride is CN1CCC(O)(C(CN2CCNCC2)c2cccc(Br)c2)CC1.Cl.Cl.
What is the InChIKey of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride?
The InChIKey is ASPYMFJFDJGDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O.2ClH/c1-21-9-5-18(23,6-10-21)17(14-22-11-7-20-8-12-22)15-3-2-4-16(19)13-15;;/h2-4,13,17,20,23H,5-12,14H2,1H3;2*1H.
What are the key properties of 4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride?
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride has a molecular weight of 455.27 g/mol, XLogP of 2.74, 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]-1-methylpiperidin-4-ol;dihydrochloride is sourced from PubChem (CID 68855594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).