1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

C19H36N6 — CID 111320160

IUPAC1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCCCc1cn[nH]c1C
InChIInChI=1S/C19H36N6/c1-5-20-18(21-11-9-10-17-14-23-24-16(17)2)22-15-19(3,4)25-12-7-6-8-13-25/h14H,5-13,15H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyNUNCMSCEFSKQNI-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.47
Rot. Bonds8

About 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (PubChem CID 111320160) has the molecular formula C19H36N6 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
PubChem CID111320160
Molecular FormulaC19H36N6
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCCCc1cn[nH]c1C
InChIInChI=1S/C19H36N6/c1-5-20-18(21-11-9-10-17-14-23-24-16(17)2)22-15-19(3,4)25-12-7-6-8-13-25/h14H,5-13,15H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyNUNCMSCEFSKQNI-UHFFFAOYSA-N
XLogP2.47
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111308694
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111625539
1-ethyl-3-hexyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111161896
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111198662
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951089
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111560045
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111765609
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192434
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257617
1-ethyl-3-(4-methylpentyl)-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111942624
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111765582

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (CID 111320160) is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is CCN/C(=N\CC(C)(C)N1CCCCC1)NCCCc1cn[nH]c1C.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The InChIKey is NUNCMSCEFSKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-5-20-18(21-11-9-10-17-14-23-24-16(17)2)22-15-19(3,4)25-12-7-6-8-13-25/h14H,5-13,15H2,1-4H3,(H,23,24)(H2,20,21,22).
What are the key properties of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine has a molecular weight of 348.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111320160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).