N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C22H37IN4O — CID 109426317

IUPACN'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-3-13-25-14-9-19(10-15-25)18-24-22(23-2)26-16-11-21(12-17-26)27-20-7-5-4-6-8-20;/h4-8,19,21H,3,9-18H2,1-2H3,(H,23,24);1H
InChIKeyRMTCPOQWPGXXOA-UHFFFAOYSA-N
MW500.47 g/mol
LogP3.85
Rot. Bonds6

About N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109426317) has the molecular formula C22H37IN4O and a molecular weight of 500.47 g/mol. Its IUPAC name is N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109426317
Molecular FormulaC22H37IN4O
Molecular Weight500.47 g/mol
Exact Mass500.20
IUPAC NameN'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-3-13-25-14-9-19(10-15-25)18-24-22(23-2)26-16-11-21(12-17-26)27-20-7-5-4-6-8-20;/h4-8,19,21H,3,9-18H2,1-2H3,(H,23,24);1H
InChIKeyRMTCPOQWPGXXOA-UHFFFAOYSA-N
XLogP3.85
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 53.85
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

N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428071
N-ethyl-4-phenoxy-N'-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426627
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757
4-benzyl-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960598
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427353
N'-methyl-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723824
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427388
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
4-(2-hydroxyphenyl)-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 111186368
N-[(1-ethylpiperidin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428016
N'-methyl-N-(oxolan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427130

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 109426317) is N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCCN1CCC(CN/C(=N\C)N2CCC(Oc3ccccc3)CC2)CC1.I.
What is the InChIKey of N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is RMTCPOQWPGXXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O.HI/c1-3-13-25-14-9-19(10-15-25)18-24-22(23-2)26-16-11-21(12-17-26)27-20-7-5-4-6-8-20;/h4-8,19,21H,3,9-18H2,1-2H3,(H,23,24);1H.
What are the key properties of N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 500.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).