4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide

C13H20N4O — CID 3043164

IUPAC4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-4-2-11(3-5-12)10-16-6-8-17(9-7-16)13(14)15/h2-5H,6-10H2,1H3,(H3,14,15)
InChIKeyOOCKLJVOYBJZOP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.71
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide

4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide (PubChem CID 3043164) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
PubChem CID3043164
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C13H20N4O/c1-18-12-4-2-11(3-5-12)10-16-6-8-17(9-7-16)13(14)15/h2-5H,6-10H2,1H3,(H3,14,15)
InChIKeyOOCKLJVOYBJZOP-UHFFFAOYSA-N
XLogP0.71
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
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

bis(4-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide);sulfuric acid
CID 3043161
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
CID 71755493
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
acetic acid;4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarboximidamide
CID 174413708
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide (CID 3043164) is 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide?
The InChIKey is OOCKLJVOYBJZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-12-4-2-11(3-5-12)10-16-6-8-17(9-7-16)13(14)15/h2-5H,6-10H2,1H3,(H3,14,15).
What are the key properties of 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide?
4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 3043164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).