1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine

C15H23IN2 — CID 171304736

IUPAC1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C15H23IN2/c1-3-12(2)15(18-10-8-17-9-11-18)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyJAIBFXJRHOSNEM-WPZCJLIBSA-N
MW358.27 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine

1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine (PubChem CID 171304736) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
PubChem CID171304736
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C15H23IN2/c1-3-12(2)15(18-10-8-17-9-11-18)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyJAIBFXJRHOSNEM-WPZCJLIBSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-(2-iodophenyl)-2-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

2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol
CID 171305124
3-[(1R)-2-methyl-1-piperazin-1-ylbutyl]benzene-1,2-diol;dihydrochloride
CID 171304359
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine
CID 171304232
2-methyl-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305570
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304233
1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304461
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304933
1-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine (CID 171304736) is 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1ccccc1I)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine?
The InChIKey is JAIBFXJRHOSNEM-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H23IN2/c1-3-12(2)15(18-10-8-17-9-11-18)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine?
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine has a molecular weight of 358.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).