1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid

C11H20N3O5P — CID 73242891

IUPAC1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid
SMILESCc1ccc(C=NN2CCN(C)CC2)o1.O=P(O)(O)O
InChIInChI=1S/C11H17N3O.H3O4P/c1-10-3-4-11(15-10)9-12-14-7-5-13(2)6-8-14;1-5(2,3)4/h3-4,9H,5-8H2,1-2H3;(H3,1,2,3,4)
InChIKeyWZYLMQKLHOVSPB-UHFFFAOYSA-N
MW305.27 g/mol
LogP0.24
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid

1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid (PubChem CID 73242891) has the molecular formula C11H20N3O5P and a molecular weight of 305.27 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid
PubChem CID73242891
Molecular FormulaC11H20N3O5P
Molecular Weight305.27 g/mol
Exact Mass305.11
IUPAC Name1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid
SMILESCc1ccc(C=NN2CCN(C)CC2)o1.O=P(O)(O)O
InChIInChI=1S/C11H17N3O.H3O4P/c1-10-3-4-11(15-10)9-12-14-7-5-13(2)6-8-14;1-5(2,3)4/h3-4,9H,5-8H2,1-2H3;(H3,1,2,3,4)
InChIKeyWZYLMQKLHOVSPB-UHFFFAOYSA-N
XLogP0.24
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 5499805
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 1273007
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 5403502
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
(E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858623
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]guanidine
CID 71670100
4-[(4-methylpiperazin-1-yl)iminomethyl]benzonitrile
CID 2343693
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 8979938
(1R,2R,6R,7R)-4-[(Z)-(5-methylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98227776

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid (CID 73242891) is 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid is Cc1ccc(C=NN2CCN(C)CC2)o1.O=P(O)(O)O.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid?
The InChIKey is WZYLMQKLHOVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.H3O4P/c1-10-3-4-11(15-10)9-12-14-7-5-13(2)6-8-14;1-5(2,3)4/h3-4,9H,5-8H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid?
1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid has a molecular weight of 305.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid is sourced from PubChem (CID 73242891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).