N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide

C16H26IN3 — CID 111819205

IUPACN'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(C(C)C/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C16H25N3.HI/c1-13-7-6-8-15(11-13)14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyOASTYRANNKBUDH-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.52
Rot. Bonds3

About N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111819205) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111819205
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC NameN'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1cccc(C(C)C/N=C(\N)N2CCCCC2)c1.I
InChIInChI=1S/C16H25N3.HI/c1-13-7-6-8-15(11-13)14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H
InChIKeyOASTYRANNKBUDH-UHFFFAOYSA-N
XLogP3.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111758200
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[3-[3-(trifluoromethyl)phenyl]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111822589
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
1-ethyl-2-[2-(3-methylphenyl)propyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111659462
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
2-(3-methylphenyl)propan-1-ol
CID 21478686
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111819205) is N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide is Cc1cccc(C(C)C/N=C(\N)N2CCCCC2)c1.I.
What is the InChIKey of N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OASTYRANNKBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-13-7-6-8-15(11-13)14(2)12-18-16(17)19-9-4-3-5-10-19;/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111819205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).