N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

C15H23N5 — CID 71513423

IUPACN'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCc1ccc(C/N=C(N)/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H23N5/c1-12-5-7-13(8-6-12)11-18-14(16)19-15(17)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H4,16,17,18,19)
InChIKeyVCMIXKLORBSQIP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.61
Rot. Bonds2

About N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide

N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 71513423) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID71513423
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCc1ccc(C/N=C(N)/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H23N5/c1-12-5-7-13(8-6-12)11-18-14(16)19-15(17)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H4,16,17,18,19)
InChIKeyVCMIXKLORBSQIP-UHFFFAOYSA-N
XLogP1.61
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.61
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'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]azepane-1-carboximidamide;dihydrochloride
CID 142720634
N'-[N'-[(4-bromophenyl)methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513636
N'-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513641
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78093565
N'-[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 71513643
N'-[N'-(1,3-benzodioxol-5-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 161285939
N'-[N'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720656
N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162323761
N'-[N'-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide;dihydrochloride
CID 142720655
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide (CID 71513423) is N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is Cc1ccc(C/N=C(N)/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is VCMIXKLORBSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12-5-7-13(8-6-12)11-18-14(16)19-15(17)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H4,16,17,18,19).
What are the key properties of N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide?
N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 273.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 71513423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).