2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine

C15H24N6 — CID 174723354

IUPAC2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine
SMILESCC/N=C(\N)N=C(N)N(c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N6/c1-2-18-14(16)19-15(17)21(13-9-5-3-6-10-13)20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H4,16,17,18,19)
InChIKeyIXLNBFHSPDKHQA-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.54
Rot. Bonds3

About 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine

2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine (PubChem CID 174723354) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine.

Molecular Properties

Compound Name2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine
PubChem CID174723354
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine
SMILESCC/N=C(\N)N=C(N)N(c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H24N6/c1-2-18-14(16)19-15(17)21(13-9-5-3-6-10-13)20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H4,16,17,18,19)
InChIKeyIXLNBFHSPDKHQA-UHFFFAOYSA-N
XLogP1.54
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.54
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 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine?
The IUPAC name of 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine (CID 174723354) is 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine.
What is the SMILES notation for 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine?
The canonical SMILES for 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine is CC/N=C(\N)N=C(N)N(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine?
The InChIKey is IXLNBFHSPDKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-2-18-14(16)19-15(17)21(13-9-5-3-6-10-13)20-11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H4,16,17,18,19).
What are the key properties of 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine?
2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine has a molecular weight of 288.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-ethylcarbamimidoyl)-1-phenyl-1-piperidin-1-ylguanidine is sourced from PubChem (CID 174723354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).