N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

C20H34N4O — CID 109427761

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)CN(C)C)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,16-23(4)5)15-22-19(21-3)24-13-11-18(12-14-24)25-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,21,22)
InChIKeyAGAFRGWBHWJHOB-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427761) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427761
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)CN(C)C)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,16-23(4)5)15-22-19(21-3)24-13-11-18(12-14-24)25-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,21,22)
InChIKeyAGAFRGWBHWJHOB-UHFFFAOYSA-N
XLogP2.69
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.69
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-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427760
N-(2-methoxy-2-methylpropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425451
N'-methyl-N-(2-methyl-2-methylsulfanylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427356
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N-ethyl-2,2-dimethyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
CID 109427329
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426748
N-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425405

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide (CID 109427761) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCC(C)(C)CN(C)C)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is AGAFRGWBHWJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2,16-23(4)5)15-22-19(21-3)24-13-11-18(12-14-24)25-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H,21,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 346.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).