N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide

C18H27N5 — CID 177422386

IUPACN'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N\C(=N\N1CCCCC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27N5/c19-18(22-12-6-2-7-13-22)20-17(16-10-4-1-5-11-16)21-23-14-8-3-9-15-23/h1,4-5,10-11H,2-3,6-9,12-15H2,(H2,19,20,21)
InChIKeyMIRVVPQQAWBQGS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.63
Rot. Bonds2

About N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide

N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide (PubChem CID 177422386) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide
PubChem CID177422386
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide
SMILESN/C(=N\C(=N\N1CCCCC1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H27N5/c19-18(22-12-6-2-7-13-22)20-17(16-10-4-1-5-11-16)21-23-14-8-3-9-15-23/h1,4-5,10-11H,2-3,6-9,12-15H2,(H2,19,20,21)
InChIKeyMIRVVPQQAWBQGS-UHFFFAOYSA-N
XLogP2.63
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-(benzenesulfonyl)piperidine-1-carboximidamide
CID 75092022
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
N'-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162323761
(NE)-N-[phenyl(pyrrolidin-1-yl)methylidene]hydroxylamine
CID 15190945
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N'-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 83024710

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide (CID 177422386) is N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide is N/C(=N\C(=N\N1CCCCC1)c1ccccc1)N1CCCCC1.
What is the InChIKey of N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide?
The InChIKey is MIRVVPQQAWBQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c19-18(22-12-6-2-7-13-22)20-17(16-10-4-1-5-11-16)21-23-14-8-3-9-15-23/h1,4-5,10-11H,2-3,6-9,12-15H2,(H2,19,20,21).
What are the key properties of N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide?
N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide has a molecular weight of 313.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-C-phenyl-N-piperidin-1-ylcarbonimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 177422386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).