N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide

C19H27N5O — CID 109427545

IUPACN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnn(C)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)25-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyGHTOGGUCUBKZND-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide

N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427545) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427545
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnn(C)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)25-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21)
InChIKeyGHTOGGUCUBKZND-UHFFFAOYSA-N
XLogP2.43
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427272
N'-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428156
N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427565
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
methyl 4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzoate;hydroiodide
CID 109425761
N-ethyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426957
4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111958140
N,N-diethyl-4-[[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 109428253
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide
CID 109427575
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283
N-ethyl-N'-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide (CID 109427545) is N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\Cc1cnn(C)c1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is GHTOGGUCUBKZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-20-19(21-13-16-14-22-23(2)15-16)24-11-9-18(10-12-24)25-17-7-5-4-6-8-17/h4-8,14-15,18H,3,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide?
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 341.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).