N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

C21H34N4O — CID 111144848

IUPACN',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc(CN2CCOC(C)C2)c1)N1CCCC(C)C1
InChIInChI=1S/C21H34N4O/c1-17-6-5-9-25(14-17)21(22-3)23-13-19-7-4-8-20(12-19)16-24-10-11-26-18(2)15-24/h4,7-8,12,17-18H,5-6,9-11,13-16H2,1-3H3,(H,22,23)
InChIKeyKDPXQXVIQIVTOT-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.71
Rot. Bonds4

About N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111144848) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111144848
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc(CN2CCOC(C)C2)c1)N1CCCC(C)C1
InChIInChI=1S/C21H34N4O/c1-17-6-5-9-25(14-17)21(22-3)23-13-19-7-4-8-20(12-19)16-24-10-11-26-18(2)15-24/h4,7-8,12,17-18H,5-6,9-11,13-16H2,1-3H3,(H,22,23)
InChIKeyKDPXQXVIQIVTOT-UHFFFAOYSA-N
XLogP2.71
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.71
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

4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
CID 111185242
methyl 1-[N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111255011
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111082865
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-pentylguanidine
CID 111129365
N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433993
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111854550
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111957681
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 110997973
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111623179

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (CID 111144848) is N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is C/N=C(/NCc1cccc(CN2CCOC(C)C2)c1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is KDPXQXVIQIVTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17-6-5-9-25(14-17)21(22-3)23-13-19-7-4-8-20(12-19)16-24-10-11-26-18(2)15-24/h4,7-8,12,17-18H,5-6,9-11,13-16H2,1-3H3,(H,22,23).
What are the key properties of N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 358.53 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111144848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).