2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C23H36N4O — CID 119147176

IUPAC2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCOC1CCN(C2(C/N=C(\N)Nc3cccc4c3CCCC4)CCCC2)CC1
InChIInChI=1S/C23H36N4O/c1-28-19-11-15-27(16-12-19)23(13-4-5-14-23)17-25-22(24)26-21-10-6-8-18-7-2-3-9-20(18)21/h6,8,10,19H,2-5,7,9,11-17H2,1H3,(H3,24,25,26)
InChIKeyAOGHGZYYQMLANK-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.72
Rot. Bonds5

About 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 119147176) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID119147176
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCOC1CCN(C2(C/N=C(\N)Nc3cccc4c3CCCC4)CCCC2)CC1
InChIInChI=1S/C23H36N4O/c1-28-19-11-15-27(16-12-19)23(13-4-5-14-23)17-25-22(24)26-21-10-6-8-18-7-2-3-9-20(18)21/h6,8,10,19H,2-5,7,9,11-17H2,1H3,(H3,24,25,26)
InChIKeyAOGHGZYYQMLANK-UHFFFAOYSA-N
XLogP3.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.72
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'}

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Related Compounds

2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122082383
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721083
2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122099319
1-(2-methoxyphenyl)-2-[(1-thiomorpholin-4-ylcyclopentyl)methyl]guanidine;hydroiodide
CID 111067593
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111752641
2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721559
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(thian-4-ylmethyl)guanidine
CID 119146810

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 119147176) is 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is COC1CCN(C2(C/N=C(\N)Nc3cccc4c3CCCC4)CCCC2)CC1.
What is the InChIKey of 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is AOGHGZYYQMLANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-28-19-11-15-27(16-12-19)23(13-4-5-14-23)17-25-22(24)26-21-10-6-8-18-7-2-3-9-20(18)21/h6,8,10,19H,2-5,7,9,11-17H2,1H3,(H3,24,25,26).
What are the key properties of 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 384.57 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 119147176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).