1-[(1S)-1-(4-iodophenyl)butyl]piperazine

C14H21IN2 — CID 171276051

IUPAC1-[(1S)-1-(4-iodophenyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C14H21IN2/c1-2-3-14(17-10-8-16-9-11-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyDMXPDQMGLGDZCW-AWEZNQCLSA-N
MW344.24 g/mol
LogP3.04
Rot. Bonds4

About 1-[(1S)-1-(4-iodophenyl)butyl]piperazine

1-[(1S)-1-(4-iodophenyl)butyl]piperazine (PubChem CID 171276051) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[(1S)-1-(4-iodophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-iodophenyl)butyl]piperazine
PubChem CID171276051
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-[(1S)-1-(4-iodophenyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C14H21IN2/c1-2-3-14(17-10-8-16-9-11-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyDMXPDQMGLGDZCW-AWEZNQCLSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-iodophenyl)butyl]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-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
1-[(1R)-1-(4-bromo-3-fluorophenyl)butyl]piperazine
CID 171168943
N-benzyl-4-[(1S)-1-piperazin-1-ylbutyl]aniline
CID 171275088

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-iodophenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-iodophenyl)butyl]piperazine (CID 171276051) is 1-[(1S)-1-(4-iodophenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-iodophenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-iodophenyl)butyl]piperazine is CCC[C@@H](c1ccc(I)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-iodophenyl)butyl]piperazine?
The InChIKey is DMXPDQMGLGDZCW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21IN2/c1-2-3-14(17-10-8-16-9-11-17)12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-iodophenyl)butyl]piperazine?
1-[(1S)-1-(4-iodophenyl)butyl]piperazine has a molecular weight of 344.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-iodophenyl)butyl]piperazine is sourced from PubChem (CID 171276051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).