2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C19H30N4 — CID 111721083

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC1CCN(CC/N=C(\N)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H30N4/c1-15-9-12-23(13-10-15)14-11-21-19(20)22-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8,15H,2-3,5,7,9-14H2,1H3,(H3,20,21,22)
InChIKeyRCQPUTLZKKDFDV-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.02
Rot. Bonds4

About 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111721083) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111721083
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCC1CCN(CC/N=C(\N)Nc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H30N4/c1-15-9-12-23(13-10-15)14-11-21-19(20)22-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8,15H,2-3,5,7,9-14H2,1H3,(H3,20,21,22)
InChIKeyRCQPUTLZKKDFDV-UHFFFAOYSA-N
XLogP3.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111752641
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720856
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721585
2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111812467
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
2-(3-cyclopentyloxypropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721559
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721293
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720592
2-[2-(2-oxo-3H-indol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111721083) is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is CC1CCN(CC/N=C(\N)Nc2cccc3c2CCCC3)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is RCQPUTLZKKDFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-15-9-12-23(13-10-15)14-11-21-19(20)22-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8,15H,2-3,5,7,9-14H2,1H3,(H3,20,21,22).
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 314.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111721083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).