N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide

C22H36N4O2 — CID 111154682

IUPACN',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1OCCN1CCOCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C22H36N4O2/c1-18-14-19(2)17-26(16-18)22(23-3)24-15-20-6-4-5-7-21(20)28-13-10-25-8-11-27-12-9-25/h4-7,18-19H,8-17H2,1-3H3,(H,23,24)
InChIKeyNFJZPSYDUGRGDH-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.45
Rot. Bonds6

About N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide

N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111154682) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111154682
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1OCCN1CCOCC1)N1CC(C)CC(C)C1
InChIInChI=1S/C22H36N4O2/c1-18-14-19(2)17-26(16-18)22(23-3)24-15-20-6-4-5-7-21(20)28-13-10-25-8-11-27-12-9-25/h4-7,18-19H,8-17H2,1-3H3,(H,23,24)
InChIKeyNFJZPSYDUGRGDH-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207179
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742709
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
1-cyclopentyl-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110990264
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
1-(3-methoxypropyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 110973903
2-methyl-1-(2-methylsulfanylethyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111344200
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111899129
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111611678
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111611677
1-(2-cycloheptyloxyethyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111576272
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111277406

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide (CID 111154682) is N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide is C/N=C(\NCc1ccccc1OCCN1CCOCC1)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is NFJZPSYDUGRGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-18-14-19(2)17-26(16-18)22(23-3)24-15-20-6-4-5-7-21(20)28-13-10-25-8-11-27-12-9-25/h4-7,18-19H,8-17H2,1-3H3,(H,23,24).
What are the key properties of N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide?
N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 388.56 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111154682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).