1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine

C15H23ClN2O — CID 139639269

IUPAC1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
SMILESCC(C)(CCN1CCNCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-15(2,7-10-18-11-8-17-9-12-18)19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3
InChIKeyFZQBGBXNBCFJOQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine

1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine (PubChem CID 139639269) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
PubChem CID139639269
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
SMILESCC(C)(CCN1CCNCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-15(2,7-10-18-11-8-17-9-12-18)19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3
InChIKeyFZQBGBXNBCFJOQ-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine 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

1-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propan-1-one
CID 139638679
tert-butyl 4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxybenzoate
CID 139638894
N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]propanamide
CID 139638977
1-[3-methyl-3-(4-pentylsulfinylphenoxy)butyl]piperazine
CID 139638768
N-[4-(2-methyl-4-piperazin-1-ylbutan-2-yl)oxyphenyl]pentane-1-sulfinamide
CID 139638761
1-[3-methyl-3-(3-nitrophenoxy)butyl]piperazine
CID 139638766
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63265704
1-[(2R)-2-(4-chlorophenoxy)propyl]piperazine
CID 96925921
2-[2-(4-chlorophenoxy)-2-methylpropyl]-2,7-diazaspiro[4.4]nonane
CID 82038740
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;1-methylpiperazine
CID 131847127
1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
CID 134097917
1-[2-(3,5-dimethylphenoxy)-2-methylpropyl]piperazine
CID 82090991

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine?
The IUPAC name of 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine (CID 139639269) is 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine is CC(C)(CCN1CCNCC1)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine?
The InChIKey is FZQBGBXNBCFJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,7-10-18-11-8-17-9-12-18)19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine?
1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine has a molecular weight of 282.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine is sourced from PubChem (CID 139639269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).