N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide

C19H31N5O — CID 75511967

IUPACN'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
SMILESCc1cccc(N2CCN(CCC/N=C(\N)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-17-4-2-5-18(16-17)23-10-8-22(9-11-23)7-3-6-21-19(20)24-12-14-25-15-13-24/h2,4-5,16H,3,6-15H2,1H3,(H2,20,21)
InChIKeyFNTMHJQKDOKTTE-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.15
Rot. Bonds5

About N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide

N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide (PubChem CID 75511967) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
PubChem CID75511967
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
SMILESCc1cccc(N2CCN(CCC/N=C(\N)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H31N5O/c1-17-4-2-5-18(16-17)23-10-8-22(9-11-23)7-3-6-21-19(20)24-12-14-25-15-13-24/h2,4-5,16H,3,6-15H2,1H3,(H2,20,21)
InChIKeyFNTMHJQKDOKTTE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 55064141
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
1-(3-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061905
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
1-(1-methoxypropan-2-yl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 111062348
1-(2-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062287
1-(3-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062285
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methylphenyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059830
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111062236
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide (CID 75511967) is N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide is Cc1cccc(N2CCN(CCC/N=C(\N)N3CCOCC3)CC2)c1.
What is the InChIKey of N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide?
The InChIKey is FNTMHJQKDOKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-17-4-2-5-18(16-17)23-10-8-22(9-11-23)7-3-6-21-19(20)24-12-14-25-15-13-24/h2,4-5,16H,3,6-15H2,1H3,(H2,20,21).
What are the key properties of N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide?
N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide has a molecular weight of 345.49 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 75511967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).