N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide

C17H24IN3O — CID 109454398

IUPACN-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CC1)N1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C17H24IN3O/c1-19-17(20-12-13-6-7-13)21-10-8-14(9-11-21)22-16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,20)
InChIKeyBRUSEXKEKXWAAP-UHFFFAOYSA-N
MW413.30 g/mol
LogP3.12
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide

N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide (PubChem CID 109454398) has the molecular formula C17H24IN3O and a molecular weight of 413.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
PubChem CID109454398
Molecular FormulaC17H24IN3O
Molecular Weight413.30 g/mol
Exact Mass413.10
IUPAC NameN-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1CC1)N1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C17H24IN3O/c1-19-17(20-12-13-6-7-13)21-10-8-14(9-11-21)22-16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,20)
InChIKeyBRUSEXKEKXWAAP-UHFFFAOYSA-N
XLogP3.12
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 53.12
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,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
CID 109454427
N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
CID 109454443
N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428071
N'-methyl-4-phenoxy-N-[(1-propylpiperidin-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426317
N'-methyl-4-phenoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109426757
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 75482169
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427353
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
CID 119814869
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427388

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide (CID 109454398) is N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide is C/N=C(\NCC1CC1)N1CCC(Oc2ccccc2I)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is BRUSEXKEKXWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24IN3O/c1-19-17(20-12-13-6-7-13)21-10-8-14(9-11-21)22-16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide?
N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 413.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).