N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide

C13H18ClN5 — CID 141426673

IUPACN'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H18ClN5/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18)
InChIKeyZLNKIOGFXSDVHP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.09
Rot. Bonds1

About N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 141426673) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
PubChem CID141426673
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H18ClN5/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18)
InChIKeyZLNKIOGFXSDVHP-UHFFFAOYSA-N
XLogP2.09
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.09
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'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
CID 172751827
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]methyl-triphenylphosphanium chloride
CID 158062986
N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
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-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide (CID 141426673) is N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide is N/C(=N/C(N)=N/c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is ZLNKIOGFXSDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c14-10-5-4-6-11(9-10)17-12(15)18-13(16)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H4,15,16,17,18).
What are the key properties of N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 279.77 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 141426673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).