1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine

C16H26N4 — CID 110920426

IUPAC1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-17-16(18-2)19-12-15-10-6-7-11-20(15)13-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H2,17,18,19)
InChIKeyPDKAWEFENXSOFE-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.84
Rot. Bonds4

About 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine

1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine (PubChem CID 110920426) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
PubChem CID110920426
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-17-16(18-2)19-12-15-10-6-7-11-20(15)13-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H2,17,18,19)
InChIKeyPDKAWEFENXSOFE-UHFFFAOYSA-N
XLogP1.84
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.84
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

1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111583751
4-[[[N-[(1-benzylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111874233
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111583522
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 111582960
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111583027
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-ethylpiperidin-2-yl)methyl]-2-methylguanidine
CID 109459306
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111585873
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111583819
3-[2-[[N-[(1-benzylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669387
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111585872

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine (CID 110920426) is 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is PDKAWEFENXSOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-16(18-2)19-12-15-10-6-7-11-20(15)13-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine?
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 274.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110920426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).