N'-phenylpiperidine-1-carboximidamide

C12H17N3 — CID 11074478

IUPACN'-phenylpiperidine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H17N3/c13-12(15-9-5-2-6-10-15)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
InChIKeyTZEFIKHIRATNEI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.12
Rot. Bonds1

About N'-phenylpiperidine-1-carboximidamide

N'-phenylpiperidine-1-carboximidamide (PubChem CID 11074478) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-phenylpiperidine-1-carboximidamide
PubChem CID11074478
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN'-phenylpiperidine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCCCC1
InChIInChI=1S/C12H17N3/c13-12(15-9-5-2-6-10-15)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
InChIKeyTZEFIKHIRATNEI-UHFFFAOYSA-N
XLogP2.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-phenylpiperidine-1-carboximidamide (CID 11074478) is N'-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-phenylpiperidine-1-carboximidamide is N/C(=N\c1ccccc1)N1CCCCC1.
What is the InChIKey of N'-phenylpiperidine-1-carboximidamide?
The InChIKey is TZEFIKHIRATNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-12(15-9-5-2-6-10-15)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14).
What are the key properties of N'-phenylpiperidine-1-carboximidamide?
N'-phenylpiperidine-1-carboximidamide has a molecular weight of 203.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 11074478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).