N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide

C15H25N5 — CID 75533357

IUPACN-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(C)n1)N1CCC(C)CC1
InChIInChI=1S/C15H25N5/c1-4-16-15(20-9-6-12(2)7-10-20)18-11-14-5-8-17-13(3)19-14/h5,8,12H,4,6-7,9-11H2,1-3H3,(H,16,18)
InChIKeyTZMLKASPCQMEFN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds3

About N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide (PubChem CID 75533357) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide
PubChem CID75533357
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(C)n1)N1CCC(C)CC1
InChIInChI=1S/C15H25N5/c1-4-16-15(20-9-6-12(2)7-10-20)18-11-14-5-8-17-13(3)19-14/h5,8,12H,4,6-7,9-11H2,1-3H3,(H,16,18)
InChIKeyTZMLKASPCQMEFN-UHFFFAOYSA-N
XLogP1.98
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
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-ethyl-4-methyl-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111211434
N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111209931
4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111959845
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
4-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111210543
N'-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111211849
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109401616
N'-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111211097
N-ethyl-N'-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111211372
N-ethyl-4-methyl-N'-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210716
N-ethyl-N'-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111210799
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220929

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide (CID 75533357) is N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide is CCN/C(=N\Cc1ccnc(C)n1)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is TZMLKASPCQMEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-16-15(20-9-6-12(2)7-10-20)18-11-14-5-8-17-13(3)19-14/h5,8,12H,4,6-7,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 75533357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).