4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide

C25H35N5O2 — CID 111185242

IUPAC4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(CN2CCOC(C)C2)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H35N5O2/c1-20-18-28(14-15-32-20)19-22-7-5-6-21(16-22)17-27-25(26-2)30-12-10-29(11-13-30)23-8-3-4-9-24(23)31/h3-9,16,20,31H,10-15,17-19H2,1-2H3,(H,26,27)
InChIKeyNQBKPQGYFJMNDN-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.51
Rot. Bonds5

About 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide

4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide (PubChem CID 111185242) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
PubChem CID111185242
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1cccc(CN2CCOC(C)C2)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H35N5O2/c1-20-18-28(14-15-32-20)19-22-7-5-6-21(16-22)17-27-25(26-2)30-12-10-29(11-13-30)23-8-3-4-9-24(23)31/h3-9,16,20,31H,10-15,17-19H2,1-2H3,(H,26,27)
InChIKeyNQBKPQGYFJMNDN-UHFFFAOYSA-N
XLogP2.51
TPSA63.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111144848
methyl 1-[N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111255011
4-(2-hydroxyphenyl)-N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111184594
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide
CID 111184626
N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433993
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185737
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-pentylguanidine
CID 111129365
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111082865
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111854550
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 47744242

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide (CID 111185242) is 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide is C/N=C(\NCc1cccc(CN2CCOC(C)C2)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
The InChIKey is NQBKPQGYFJMNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-20-18-28(14-15-32-20)19-22-7-5-6-21(16-22)17-27-25(26-2)30-12-10-29(11-13-30)23-8-3-4-9-24(23)31/h3-9,16,20,31H,10-15,17-19H2,1-2H3,(H,26,27).
What are the key properties of 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide?
4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide has a molecular weight of 437.59 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111185242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).