1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine

C23H33N5O — CID 109459406

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCOc1cccnc1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H33N5O/c1-3-25-23(26-13-15-29-22-10-7-12-24-17-22)27-21-11-14-28(19(2)16-21)18-20-8-5-4-6-9-20/h4-10,12,17,19,21H,3,11,13-16,18H2,1-2H3,(H2,25,26,27)
InChIKeyLTGVURVMAXWLRQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.07
Rot. Bonds8

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine

1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 109459406) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID109459406
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CCOc1cccnc1)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H33N5O/c1-3-25-23(26-13-15-29-22-10-7-12-24-17-22)27-21-11-14-28(19(2)16-21)18-20-8-5-4-6-9-20/h4-10,12,17,19,21H,3,11,13-16,18H2,1-2H3,(H2,25,26,27)
InChIKeyLTGVURVMAXWLRQ-UHFFFAOYSA-N
XLogP3.07
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-benzyl-2-methylpiperidin-4-yl)-2-[2-(6-chloro-3-pyridinyl)ethyl]-3-ethylguanidine;hydroiodide
CID 109457413
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 109459255
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109459448
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 109458980
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 109458712
tert-butyl N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]carbamate
CID 109459190
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109458759
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 109458500
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 109457833
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 109457816
ethyl 4-[[N-ethyl-N'-(2-pyridin-3-yloxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111838271
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-tert-butylsulfonylethyl)-3-ethylguanidine
CID 109458700

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine (CID 109459406) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine is CCN/C(=N\CCOc1cccnc1)NC1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is LTGVURVMAXWLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-25-23(26-13-15-29-22-10-7-12-24-17-22)27-21-11-14-28(19(2)16-21)18-20-8-5-4-6-9-20/h4-10,12,17,19,21H,3,11,13-16,18H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine?
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 395.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 109459406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).