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

C16H26N4 — CID 110919342

IUPAC4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN(C)c2ccccc2)CC1
InChIInChI=1S/C16H26N4/c1-14-8-11-20(12-9-14)16(17)18-10-13-19(2)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,17,18)
InChIKeyXZJLYJMRMZHGOE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.17
Rot. Bonds4

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

4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide (PubChem CID 110919342) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
PubChem CID110919342
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN(C)c2ccccc2)CC1
InChIInChI=1S/C16H26N4/c1-14-8-11-20(12-9-14)16(17)18-10-13-19(2)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,17,18)
InChIKeyXZJLYJMRMZHGOE-UHFFFAOYSA-N
XLogP2.17
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
N'-(2-benzylsulfinylethyl)-4-methylpiperidine-1-carboximidamide
CID 111424439
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
N'-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110935389

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide (CID 110919342) is 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCN(C)c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The InChIKey is XZJLYJMRMZHGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-14-8-11-20(12-9-14)16(17)18-10-13-19(2)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,17,18).
What are the key properties of 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110919342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).