4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide

C19H30ClIN4O — CID 110033350

IUPAC4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O.HI/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(21)22-10-3-5-18-4-1-2-15-25-18;/h6-9,18H,1-5,10-15H2,(H2,21,22);1H
InChIKeyDPQIBHBFBYXQTD-UHFFFAOYSA-N
MW492.83 g/mol
LogP3.74
Rot. Bonds5

About 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 110033350) has the molecular formula C19H30ClIN4O and a molecular weight of 492.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID110033350
Molecular FormulaC19H30ClIN4O
Molecular Weight492.83 g/mol
Exact Mass492.12
IUPAC Name4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O.HI/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(21)22-10-3-5-18-4-1-2-15-25-18;/h6-9,18H,1-5,10-15H2,(H2,21,22);1H
InChIKeyDPQIBHBFBYXQTD-UHFFFAOYSA-N
XLogP3.74
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide (CID 110033350) is 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCC1CCCCO1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is DPQIBHBFBYXQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O.HI/c20-16-6-8-17(9-7-16)23-11-13-24(14-12-23)19(21)22-10-3-5-18-4-1-2-15-25-18;/h6-9,18H,1-5,10-15H2,(H2,21,22);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 492.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110033350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).