N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C15H22F2IN3O — CID 109426691

IUPACN-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(F)F)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C15H21F2N3O.HI/c1-18-15(19-11-14(16)17)20-9-7-13(8-10-20)21-12-5-3-2-4-6-12;/h2-6,13-14H,7-11H2,1H3,(H,18,19);1H
InChIKeyMHHTUWYIDFUAAQ-UHFFFAOYSA-N
MW425.26 g/mol
LogP2.99
Rot. Bonds4

About N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109426691) has the molecular formula C15H22F2IN3O and a molecular weight of 425.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109426691
Molecular FormulaC15H22F2IN3O
Molecular Weight425.26 g/mol
Exact Mass425.08
IUPAC NameN-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(F)F)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C15H21F2N3O.HI/c1-18-15(19-11-14(16)17)20-9-7-13(8-10-20)21-12-5-3-2-4-6-12;/h2-6,13-14H,7-11H2,1H3,(H,18,19);1H
InChIKeyMHHTUWYIDFUAAQ-UHFFFAOYSA-N
XLogP2.99
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 52.99
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-(3,4-difluorophenyl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428018
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427395
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427110
N-(2-methoxy-2-methylpropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425451
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427388
N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427356

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109426691) is N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(F)F)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is MHHTUWYIDFUAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.HI/c1-18-15(19-11-14(16)17)20-9-7-13(8-10-20)21-12-5-3-2-4-6-12;/h2-6,13-14H,7-11H2,1H3,(H,18,19);1H.
What are the key properties of N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 425.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).