N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide

C18H29N3 — CID 111144474

IUPACN',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)c1ccccc1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3/c1-15-9-8-12-21(13-15)17(19-4)20-14-18(2,3)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3,(H,19,20)
InChIKeyYFASHYLBZURWKU-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.27
Rot. Bonds3

About N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide (PubChem CID 111144474) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide
PubChem CID111144474
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)c1ccccc1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3/c1-15-9-8-12-21(13-15)17(19-4)20-14-18(2,3)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3,(H,19,20)
InChIKeyYFASHYLBZURWKU-UHFFFAOYSA-N
XLogP3.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-1-(2-methyl-2-phenylpropyl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111948478
3-(methoxymethyl)-N'-methyl-N-(2-methyl-2-phenylpropyl)pyrrolidine-1-carboximidamide
CID 111736747
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144211
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144978
N'-methyl-N-(2-methyl-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221228
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145101
N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
CID 119130050
N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961354
N-[2-(2-methoxyphenyl)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144622
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide (CID 111144474) is N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide is C/N=C(\NCC(C)(C)c1ccccc1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide?
The InChIKey is YFASHYLBZURWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-9-8-12-21(13-15)17(19-4)20-14-18(2,3)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3,(H,19,20).
What are the key properties of N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide has a molecular weight of 287.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111144474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).