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

C24H32N4O — CID 122099319

IUPAC2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC1(O)CCN(Cc2ccccc2)CC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C24H32N4O/c25-23(27-22-12-6-10-20-9-4-5-11-21(20)22)26-18-24(29)13-15-28(16-14-24)17-19-7-2-1-3-8-19/h1-3,6-8,10,12,29H,4-5,9,11,13-18H2,(H3,25,26,27)
InChIKeyJPTCMWGUMKKGSX-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.32
Rot. Bonds5

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

2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 122099319) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID122099319
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC1(O)CCN(Cc2ccccc2)CC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C24H32N4O/c25-23(27-22-12-6-10-20-9-4-5-11-21(20)22)26-18-24(29)13-15-28(16-14-24)17-19-7-2-1-3-8-19/h1-3,6-8,10,12,29H,4-5,9,11,13-18H2,(H3,25,26,27)
InChIKeyJPTCMWGUMKKGSX-UHFFFAOYSA-N
XLogP3.32
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.32
H-Bond Donors ≤ 53
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-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 120662779
2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721412
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122082383
2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111807784
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine
CID 119142283
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119147176
2-[2-(benzylsulfamoyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721167
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533
2-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119933993
2-[(2,6-dimethyl-4-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122101566
2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721450

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 122099319) is 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CC1(O)CCN(Cc2ccccc2)CC1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is JPTCMWGUMKKGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c25-23(27-22-12-6-10-20-9-4-5-11-21(20)22)26-18-24(29)13-15-28(16-14-24)17-19-7-2-1-3-8-19/h1-3,6-8,10,12,29H,4-5,9,11,13-18H2,(H3,25,26,27).
What are the key properties of 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 392.55 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 122099319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).