N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

C13H18Cl3N5 — CID 172705203

IUPACN'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/c1cc(Cl)cc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H17Cl2N5.ClH/c14-9-6-10(15)8-11(7-9)18-12(16)19-13(17)20-4-2-1-3-5-20;/h6-8H,1-5H2,(H4,16,17,18,19);1H
InChIKeyDMLBBZYWAINJGC-UHFFFAOYSA-N
MW350.68 g/mol
LogP3.16
Rot. Bonds1

About N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride

N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 172705203) has the molecular formula C13H18Cl3N5 and a molecular weight of 350.68 g/mol. Its IUPAC name is N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
PubChem CID172705203
Molecular FormulaC13H18Cl3N5
Molecular Weight350.68 g/mol
Exact Mass349.06
IUPAC NameN'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/c1cc(Cl)cc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H17Cl2N5.ClH/c14-9-6-10(15)8-11(7-9)18-12(16)19-13(17)20-4-2-1-3-5-20;/h6-8H,1-5H2,(H4,16,17,18,19);1H
InChIKeyDMLBBZYWAINJGC-UHFFFAOYSA-N
XLogP3.16
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N'-[N'-[3-chloro-5-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172764388
N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
N'-[N'-[4-chloro-3-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720639

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride (CID 172705203) is N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is Cl.NC(=N/C(N)=N/c1cc(Cl)cc(Cl)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is DMLBBZYWAINJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5.ClH/c14-9-6-10(15)8-11(7-9)18-12(16)19-13(17)20-4-2-1-3-5-20;/h6-8H,1-5H2,(H4,16,17,18,19);1H.
What are the key properties of N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride?
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 350.68 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 172705203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).