1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

C23H33N5 — CID 110971321

IUPAC1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCCCC1C)NCc1ccccn1
InChIInChI=1S/C23H33N5/c1-3-24-23(27-17-22-13-6-8-14-25-22)26-16-20-11-4-5-12-21(20)18-28-15-9-7-10-19(28)2/h4-6,8,11-14,19H,3,7,9-10,15-18H2,1-2H3,(H2,24,26,27)
InChIKeyPXUAFSKMTSNSOM-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.71
Rot. Bonds7

About 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine

1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110971321) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110971321
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCCCC1C)NCc1ccccn1
InChIInChI=1S/C23H33N5/c1-3-24-23(27-17-22-13-6-8-14-25-22)26-16-20-11-4-5-12-21(20)18-28-15-9-7-10-19(28)2/h4-6,8,11-14,19H,3,7,9-10,15-18H2,1-2H3,(H2,24,26,27)
InChIKeyPXUAFSKMTSNSOM-UHFFFAOYSA-N
XLogP3.71
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110989525
1-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110971373
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370938
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967529
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111370871
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370453
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969779
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967811
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111969013
1-ethyl-2-[(2-prop-2-enoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111556379
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969780
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969467

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine (CID 110971321) is 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccc1CN1CCCCC1C)NCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is PXUAFSKMTSNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-3-24-23(27-17-22-13-6-8-14-25-22)26-16-20-11-4-5-12-21(20)18-28-15-9-7-10-19(28)2/h4-6,8,11-14,19H,3,7,9-10,15-18H2,1-2H3,(H2,24,26,27).
What are the key properties of 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine?
1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 379.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110971321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).