N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C19H33IN4 — CID 111036311

IUPACN'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C19H32N4.HI/c1-4-22(5-2)15-18-11-7-6-10-17(18)13-21-19(20)23-12-8-9-16(3)14-23;/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3,(H2,20,21);1H
InChIKeyGQJZDYCQUCIJHM-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.69
Rot. Bonds6

About N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111036311) has the molecular formula C19H33IN4 and a molecular weight of 444.41 g/mol. Its IUPAC name is N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111036311
Molecular FormulaC19H33IN4
Molecular Weight444.41 g/mol
Exact Mass444.17
IUPAC NameN'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C19H32N4.HI/c1-4-22(5-2)15-18-11-7-6-10-17(18)13-21-19(20)23-12-8-9-16(3)14-23;/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3,(H2,20,21);1H
InChIKeyGQJZDYCQUCIJHM-UHFFFAOYSA-N
XLogP3.69
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
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

N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145326
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111822317

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111036311) is N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN(CC)Cc1ccccc1C/N=C(\N)N1CCCC(C)C1.I.
What is the InChIKey of N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GQJZDYCQUCIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4.HI/c1-4-22(5-2)15-18-11-7-6-10-17(18)13-21-19(20)23-12-8-9-16(3)14-23;/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3,(H2,20,21);1H.
What are the key properties of N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 444.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111036311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).