N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide

C15H25N5O — CID 116512996

IUPACN-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H25N5O/c1-3-8-17-15(18-16)20-11-9-19(10-12-20)13-6-4-5-7-14(13)21-2/h4-7H,3,8-12,16H2,1-2H3,(H,17,18)
InChIKeyUHEBUBJLLQJPOI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.05
Rot. Bonds4

About N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide

N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide (PubChem CID 116512996) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
PubChem CID116512996
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H25N5O/c1-3-8-17-15(18-16)20-11-9-19(10-12-20)13-6-4-5-7-14(13)21-2/h4-7H,3,8-12,16H2,1-2H3,(H,17,18)
InChIKeyUHEBUBJLLQJPOI-UHFFFAOYSA-N
XLogP1.05
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133312
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
N'-(4-ethoxybutyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133402
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133433
N-ethyl-4-(2-methoxyphenyl)-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 111132845
N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 75420816
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133548
N'-butyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111510529
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111133630
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651

Frequently Asked Questions

What is the IUPAC name of N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide (CID 116512996) is N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\NN)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
The InChIKey is UHEBUBJLLQJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-8-17-15(18-16)20-11-9-19(10-12-20)13-6-4-5-7-14(13)21-2/h4-7H,3,8-12,16H2,1-2H3,(H,17,18).
What are the key properties of N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide?
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 116512996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).