N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide

C19H31N5O — CID 111053453

IUPACN'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
SMILESCCN1CCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)CC1
InChIInChI=1S/C19H31N5O/c1-2-22-7-9-23(10-8-22)16-18-6-4-3-5-17(18)15-21-19(20)24-11-13-25-14-12-24/h3-6H,2,7-16H2,1H3,(H2,20,21)
InChIKeyFNAAKQHAJFSOJB-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.97
Rot. Bonds5

About N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide

N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide (PubChem CID 111053453) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
PubChem CID111053453
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
SMILESCCN1CCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)CC1
InChIInChI=1S/C19H31N5O/c1-2-22-7-9-23(10-8-22)16-18-6-4-3-5-17(18)15-21-19(20)24-11-13-25-14-12-24/h3-6H,2,7-16H2,1H3,(H2,20,21)
InChIKeyFNAAKQHAJFSOJB-UHFFFAOYSA-N
XLogP0.97
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.97
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'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033230
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide (CID 111053453) is N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide is CCN1CCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)CC1.
What is the InChIKey of N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is FNAAKQHAJFSOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-22-7-9-23(10-8-22)16-18-6-4-3-5-17(18)15-21-19(20)24-11-13-25-14-12-24/h3-6H,2,7-16H2,1H3,(H2,20,21).
What are the key properties of N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 345.49 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111053453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).