N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide

C22H29N3O2 — CID 109427995

IUPACN'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCOCc1ccccc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-23-22(24-14-17-26-18-19-8-4-2-5-9-19)25-15-12-21(13-16-25)27-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,23,24)
InChIKeyXICFBAXMIHMVAH-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.32
Rot. Bonds7

About N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide

N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide (PubChem CID 109427995) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
PubChem CID109427995
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCOCc1ccccc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-23-22(24-14-17-26-18-19-8-4-2-5-9-19)25-15-12-21(13-16-25)27-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,23,24)
InChIKeyXICFBAXMIHMVAH-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.32
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'}

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Related Compounds

N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426639
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426731
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-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109425492
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N-[2-(3,5-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427778
N-[2-(2,6-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428101

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide (CID 109427995) is N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide is C/N=C(\NCCOCc1ccccc1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide?
The InChIKey is XICFBAXMIHMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23-22(24-14-17-26-18-19-8-4-2-5-9-19)25-15-12-21(13-16-25)27-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,23,24).
What are the key properties of N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide?
N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide has a molecular weight of 367.49 g/mol, XLogP of 3.32, 7 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-(2-phenylmethoxyethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109427995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).