1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

C23H30N6 — CID 109405933

IUPAC1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC1CCCN(c2ccccc2C#N)C1
InChIInChI=1S/C23H30N6/c1-3-26-23(27-13-11-19-10-12-25-16-18(19)2)28-21-8-6-14-29(17-21)22-9-5-4-7-20(22)15-24/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14,17H2,1-2H3,(H2,26,27,28)
InChIKeyOGMUTZAJSRJCOJ-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.03
Rot. Bonds6

About 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine

1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (PubChem CID 109405933) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
PubChem CID109405933
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC1CCCN(c2ccccc2C#N)C1
InChIInChI=1S/C23H30N6/c1-3-26-23(27-13-11-19-10-12-25-16-18(19)2)28-21-8-6-14-29(17-21)22-9-5-4-7-20(22)15-24/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14,17H2,1-2H3,(H2,26,27,28)
InChIKeyOGMUTZAJSRJCOJ-UHFFFAOYSA-N
XLogP3.03
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 109405301
1-ethyl-3-[1-(3-methoxyphenyl)piperidin-3-yl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405842
1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111995073
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405634
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109406099
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404855
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405358
2-[(5-cyano-2-fluorophenyl)methyl]-1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethylguanidine
CID 111996305
1-[1-(2-chlorophenyl)piperidin-3-yl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405754
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109405461
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405460
methyl 4-[[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 109405366

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The IUPAC name of 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine (CID 109405933) is 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The canonical SMILES for 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is CCN/C(=N\CCc1ccncc1C)NC1CCCN(c2ccccc2C#N)C1.
What is the InChIKey of 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
The InChIKey is OGMUTZAJSRJCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-3-26-23(27-13-11-19-10-12-25-16-18(19)2)28-21-8-6-14-29(17-21)22-9-5-4-7-20(22)15-24/h4-5,7,9-10,12,16,21H,3,6,8,11,13-14,17H2,1-2H3,(H2,26,27,28).
What are the key properties of 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine?
1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine has a molecular weight of 390.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanophenyl)piperidin-3-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 109405933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).