N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide

C20H26N4O — CID 109427485

IUPACN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-16-7-6-8-17(23-16)15-22-20(21-2)24-13-11-19(12-14-24)25-18-9-4-3-5-10-18/h3-10,19H,11-15H2,1-2H3,(H,21,22)
InChIKeyHJMFLFFLANMVFY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.01
Rot. Bonds4

About N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide

N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427485) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427485
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-16-7-6-8-17(23-16)15-22-20(21-2)24-13-11-19(12-14-24)25-18-9-4-3-5-10-18/h3-10,19H,11-15H2,1-2H3,(H,21,22)
InChIKeyHJMFLFFLANMVFY-UHFFFAOYSA-N
XLogP3.01
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.01
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-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427013
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427355
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109425852
N'-methyl-4-phenoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427074
N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427507
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426711
N'-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide
CID 109428079
ethyl 4-[N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163268
N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427094
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426744
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426748
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443627

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide (CID 109427485) is N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCc1cccc(C)n1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is HJMFLFFLANMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-7-6-8-17(23-16)15-22-20(21-2)24-13-11-19(12-14-24)25-18-9-4-3-5-10-18/h3-10,19H,11-15H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide?
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 338.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).