N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

C14H19Cl2N5 — CID 142720621

IUPACN'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H19Cl2N5/c15-11-5-4-10(8-12(11)16)9-19-13(17)20-14(18)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H4,17,18,19,20)
InChIKeySETWRYGAAGDOAA-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.61
Rot. Bonds2

About N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 142720621) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID142720621
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC NameN'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H19Cl2N5/c15-11-5-4-10(8-12(11)16)9-19-13(17)20-14(18)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H4,17,18,19,20)
InChIKeySETWRYGAAGDOAA-UHFFFAOYSA-N
XLogP2.61
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.61
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'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720656
N'-[N'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720655
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513641
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (CID 142720621) is N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is N/C(=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is SETWRYGAAGDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5/c15-11-5-4-10(8-12(11)16)9-19-13(17)20-14(18)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H4,17,18,19,20).
What are the key properties of N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 328.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 142720621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).