4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C19H27ClIN5O — CID 111027583

IUPAC4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1.I
InChIInChI=1S/C19H26ClN5O.HI/c1-23(2)17(18-4-3-13-26-18)14-22-19(21)25-11-9-24(10-12-25)16-7-5-15(20)6-8-16;/h3-8,13,17H,9-12,14H2,1-2H3,(H2,21,22);1H
InChIKeyZCHNEDZWEOYTDH-UHFFFAOYSA-N
MW503.82 g/mol
LogP3.29
Rot. Bonds5

About 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111027583) has the molecular formula C19H27ClIN5O and a molecular weight of 503.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111027583
Molecular FormulaC19H27ClIN5O
Molecular Weight503.82 g/mol
Exact Mass503.09
IUPAC Name4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCN(C)C(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1.I
InChIInChI=1S/C19H26ClN5O.HI/c1-23(2)17(18-4-3-13-26-18)14-22-19(21)25-11-9-24(10-12-25)16-7-5-15(20)6-8-16;/h3-8,13,17H,9-12,14H2,1-2H3,(H2,21,22);1H
InChIKeyZCHNEDZWEOYTDH-UHFFFAOYSA-N
XLogP3.29
TPSA61.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
CID 111042840
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920430
4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 119118862
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-carboximidamide
CID 111092906
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
1-tert-butyl-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine
CID 111027530

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111027583) is 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is CN(C)C(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccco1.I.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZCHNEDZWEOYTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O.HI/c1-23(2)17(18-4-3-13-26-18)14-22-19(21)25-11-9-24(10-12-25)16-7-5-15(20)6-8-16;/h3-8,13,17H,9-12,14H2,1-2H3,(H2,21,22);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 503.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111027583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).