2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide

C17H27IN4O — CID 111036725

IUPAC2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(C(=O)N2CCCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-10-19-17(18)20-13-14-6-8-15(9-7-14)16(22)21-11-4-3-5-12-21;/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20);1H
InChIKeyYYOSKFZJKHXLMM-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.74
Rot. Bonds5

About 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide

2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide (PubChem CID 111036725) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide
PubChem CID111036725
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(C(=O)N2CCCCC2)cc1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-10-19-17(18)20-13-14-6-8-15(9-7-14)16(22)21-11-4-3-5-12-21;/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20);1H
InChIKeyYYOSKFZJKHXLMM-UHFFFAOYSA-N
XLogP2.74
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 110921087
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111036355
1-butyl-3-ethyl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111149537
2-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111066708
4-[[[amino(propylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048363
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]guanidine
CID 111083701
1-ethyl-3-(2-phenylethyl)-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111134128
1-butyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036349
1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111928621
1-ethyl-3-[(2-ethylphenyl)methyl]-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111635426
2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111036755
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propylguanidine
CID 111052483

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide (CID 111036725) is 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(C(=O)N2CCCCC2)cc1.I.
What is the InChIKey of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide?
The InChIKey is YYOSKFZJKHXLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-2-10-19-17(18)20-13-14-6-8-15(9-7-14)16(22)21-11-4-3-5-12-21;/h6-9H,2-5,10-13H2,1H3,(H3,18,19,20);1H.
What are the key properties of 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide?
2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111036725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).