N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide

C22H36N4O — CID 109427395

IUPACN'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H36N4O/c1-19(18-25-13-7-4-8-14-25)17-24-22(23-2)26-15-11-21(12-16-26)27-20-9-5-3-6-10-20/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,23,24)
InChIKeyZPVIRKYZZXYMJO-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.23
Rot. Bonds6

About N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide

N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109427395) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide
PubChem CID109427395
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCCCC1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C22H36N4O/c1-19(18-25-13-7-4-8-14-25)17-24-22(23-2)26-15-11-21(12-16-26)27-20-9-5-3-6-10-20/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,23,24)
InChIKeyZPVIRKYZZXYMJO-UHFFFAOYSA-N
XLogP3.23
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.23
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-(2,2-difluoroethyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426691
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
methyl 1-[N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253809
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N-[2-(3,4-difluorophenyl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428018
N-[(1-ethylpiperidin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428016
4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
CID 111185212
N-(2-methoxy-2-methylpropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425451
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427576

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide (CID 109427395) is N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCC(C)CN1CCCCC1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is ZPVIRKYZZXYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-19(18-25-13-7-4-8-14-25)17-24-22(23-2)26-15-11-21(12-16-26)27-20-9-5-3-6-10-20/h3,5-6,9-10,19,21H,4,7-8,11-18H2,1-2H3,(H,23,24).
What are the key properties of N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide?
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 372.56 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109427395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).