1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide

C15H21N3 — CID 66419716

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C15H21N3/c16-15(17)11-5-7-18(8-6-11)10-13-9-12-3-1-2-4-14(12)13/h1-4,11,13H,5-10H2,(H3,16,17)
InChIKeySJSUCOKTFSOSEX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.97
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide (PubChem CID 66419716) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
PubChem CID66419716
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C15H21N3/c16-15(17)11-5-7-18(8-6-11)10-13-9-12-3-1-2-4-14(12)13/h1-4,11,13H,5-10H2,(H3,16,17)
InChIKeySJSUCOKTFSOSEX-UHFFFAOYSA-N
XLogP1.97
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide (CID 66419716) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CC2Cc3ccccc32)CC1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide?
The InChIKey is SJSUCOKTFSOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-15(17)11-5-7-18(8-6-11)10-13-9-12-3-1-2-4-14(12)13/h1-4,11,13H,5-10H2,(H3,16,17).
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 66419716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).