1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine

C14H20IN3 — CID 171070002

IUPAC1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine
SMILESIc1ccc(N2CC(CN3CCNCC3)C2)cc1
InChIInChI=1S/C14H20IN3/c15-13-1-3-14(4-2-13)18-10-12(11-18)9-17-7-5-16-6-8-17/h1-4,12,16H,5-11H2
InChIKeyDYPSIYSFLJKTGQ-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.63
Rot. Bonds3

About 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine

1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine (PubChem CID 171070002) has the molecular formula C14H20IN3 and a molecular weight of 357.24 g/mol. Its IUPAC name is 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine
PubChem CID171070002
Molecular FormulaC14H20IN3
Molecular Weight357.24 g/mol
Exact Mass357.07
IUPAC Name1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine
SMILESIc1ccc(N2CC(CN3CCNCC3)C2)cc1
InChIInChI=1S/C14H20IN3/c15-13-1-3-14(4-2-13)18-10-12(11-18)9-17-7-5-16-6-8-17/h1-4,12,16H,5-11H2
InChIKeyDYPSIYSFLJKTGQ-UHFFFAOYSA-N
XLogP1.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylpiperazine
CID 7096
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1-(3-Fluorophenyl)piperazine
CID 77418
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270
1-(4-Fluorophenyl)piperazine
CID 75260
2-(4-Methylpiperazin-1-yl)aniline
CID 286547
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271
1-Phenylpiperazinium chloride
CID 75164

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine (CID 171070002) is 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine is Ic1ccc(N2CC(CN3CCNCC3)C2)cc1.
What is the InChIKey of 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine?
The InChIKey is DYPSIYSFLJKTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3/c15-13-1-3-14(4-2-13)18-10-12(11-18)9-17-7-5-16-6-8-17/h1-4,12,16H,5-11H2.
What are the key properties of 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine?
1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine has a molecular weight of 357.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-iodophenyl)azetidin-3-yl]methyl]piperazine is sourced from PubChem (CID 171070002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).