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

C20H26N4O — CID 109428079

IUPACN'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccccn1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-21-20(23-14-10-17-7-5-6-13-22-17)24-15-11-19(12-16-24)25-18-8-3-2-4-9-18/h2-9,13,19H,10-12,14-16H2,1H3,(H,21,23)
InChIKeyGUZNIUONNQWYSO-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.74
Rot. Bonds5

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

N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide (PubChem CID 109428079) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
PubChem CID109428079
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCc1ccccn1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-21-20(23-14-10-17-7-5-6-13-22-17)24-15-11-19(12-16-24)25-18-8-3-2-4-9-18/h2-9,13,19H,10-12,14-16H2,1H3,(H,21,23)
InChIKeyGUZNIUONNQWYSO-UHFFFAOYSA-N
XLogP2.74
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.74
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'}

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Related Compounds

N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-[2-(2,6-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428101
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425405
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723138
ethyl 1-[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]piperidine-4-carboxylate
CID 111155622
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425821
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425979
N-[2-(3,5-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427778
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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide (CID 109428079) is N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide is C/N=C(\NCCc1ccccn1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide?
The InChIKey is GUZNIUONNQWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-21-20(23-14-10-17-7-5-6-13-22-17)24-15-11-19(12-16-24)25-18-8-3-2-4-9-18/h2-9,13,19H,10-12,14-16H2,1H3,(H,21,23).
What are the key properties of N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide?
N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide has a molecular weight of 338.45 g/mol, XLogP of 2.74, 5 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-pyridin-2-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109428079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).