N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

C14H22IN3 — CID 111026011

IUPACN'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(C/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-12-5-7-13(8-6-12)11-16-14(15)17-9-3-2-4-10-17;/h5-8H,2-4,9-11H2,1H3,(H2,15,16);1H
InChIKeyWYRIPVKGQGOKSY-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.91
Rot. Bonds2

About N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111026011) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111026011
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC NameN'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(C/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C14H21N3.HI/c1-12-5-7-13(8-6-12)11-16-14(15)17-9-3-2-4-10-17;/h5-8H,2-4,9-11H2,1H3,(H2,15,16);1H
InChIKeyWYRIPVKGQGOKSY-UHFFFAOYSA-N
XLogP2.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.91
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'-[N'-[(4-methylphenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513423
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
N'-(4-methylphenyl)piperidine-1-carboximidamide
CID 11310498
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111087751

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111026011) is N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is Cc1ccc(C/N=C(\N)N2CCCCC2)cc1.I.
What is the InChIKey of N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WYRIPVKGQGOKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-12-5-7-13(8-6-12)11-16-14(15)17-9-3-2-4-10-17;/h5-8H,2-4,9-11H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111026011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).