3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

C19H31IN4O — CID 111060872

IUPAC3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(c2ccccc2)N2CCOCC2)C1.I
InChIInChI=1S/C19H30N4O.HI/c1-16-6-5-9-23(15-16)19(20)21-14-18(17-7-3-2-4-8-17)22-10-12-24-13-11-22;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,20,21);1H
InChIKeyKCAZKPTUNBNLRY-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111060872) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111060872
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC Name3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC(c2ccccc2)N2CCOCC2)C1.I
InChIInChI=1S/C19H30N4O.HI/c1-16-6-5-9-23(15-16)19(20)21-14-18(17-7-3-2-4-8-17)22-10-12-24-13-11-22;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,20,21);1H
InChIKeyKCAZKPTUNBNLRY-UHFFFAOYSA-N
XLogP2.72
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-methyl-N'-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111074772
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111060872) is 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC(c2ccccc2)N2CCOCC2)C1.I.
What is the InChIKey of 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KCAZKPTUNBNLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-16-6-5-9-23(15-16)19(20)21-14-18(17-7-3-2-4-8-17)22-10-12-24-13-11-22;/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H2,20,21);1H.
What are the key properties of 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-morpholin-4-yl-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111060872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).