4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide

C22H37IN4O — CID 111152499

IUPAC4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-23-22(24-11-5-6-12-25-15-17-27-18-16-25)26-13-9-21(10-14-26)19-20-7-3-2-4-8-20;/h2-4,7-8,21H,5-6,9-19H2,1H3,(H,23,24);1H
InChIKeyWFKBVURQMYUKQM-UHFFFAOYSA-N
MW500.47 g/mol
LogP3.25
Rot. Bonds7

About 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide

4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111152499) has the molecular formula C22H37IN4O and a molecular weight of 500.47 g/mol. Its IUPAC name is 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111152499
Molecular FormulaC22H37IN4O
Molecular Weight500.47 g/mol
Exact Mass500.20
IUPAC Name4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-23-22(24-11-5-6-12-25-15-17-27-18-16-25)26-13-9-21(10-14-26)19-20-7-3-2-4-8-20;/h2-4,7-8,21H,5-6,9-19H2,1H3,(H,23,24);1H
InChIKeyWFKBVURQMYUKQM-UHFFFAOYSA-N
XLogP3.25
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 110959679
N'-methyl-N-(4-morpholin-4-ylbutyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748691
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
3-benzyl-N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725338
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
CID 111152726
4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111152434
4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152941
3-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725455
methyl 1-[N'-methyl-N-(4-morpholin-4-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253935
3-benzyl-N'-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725060
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206857
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-methyl-3-prop-2-enylguanidine
CID 111759331

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide (CID 111152499) is 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCCN1CCOCC1)N1CCC(Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WFKBVURQMYUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O.HI/c1-23-22(24-11-5-6-12-25-15-17-27-18-16-25)26-13-9-21(10-14-26)19-20-7-3-2-4-8-20;/h2-4,7-8,21H,5-6,9-19H2,1H3,(H,23,24);1H.
What are the key properties of 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 500.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111152499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).