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

C16H26N4 — CID 111037466

IUPAC3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCN(C)c2ccccc2)C1
InChIInChI=1S/C16H26N4/c1-14-7-6-11-20(13-14)16(17)18-10-12-19(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,17,18)
InChIKeyLDCNWNJWISGAJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide

3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide (PubChem CID 111037466) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
PubChem CID111037466
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCN(C)c2ccccc2)C1
InChIInChI=1S/C16H26N4/c1-14-7-6-11-20(13-14)16(17)18-10-12-19(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,17,18)
InChIKeyLDCNWNJWISGAJE-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

4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-methylpiperidine-1-carboximidamide
CID 111810724
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide (CID 111037466) is 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCN(C)c2ccccc2)C1.
What is the InChIKey of 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
The InChIKey is LDCNWNJWISGAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-14-7-6-11-20(13-14)16(17)18-10-12-19(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,17,18).
What are the key properties of 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide?
3-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 3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111037466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).