[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid

C11H24N5O2P — CID 176964293

IUPAC[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid
SMILESCN1CCN(C(=NP(O)O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24N5O2P/c1-13-3-7-15(8-4-13)11(12-19(17)18)16-9-5-14(2)6-10-16/h17-18H,3-10H2,1-2H3
InChIKeyHWZXEESJLXVWOJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.95
Rot. Bonds1

About [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid

[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid (PubChem CID 176964293) has the molecular formula C11H24N5O2P and a molecular weight of 289.32 g/mol. Its IUPAC name is [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid.

Molecular Properties

Compound Name[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid
PubChem CID176964293
Molecular FormulaC11H24N5O2P
Molecular Weight289.32 g/mol
Exact Mass289.17
IUPAC Name[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid
SMILESCN1CCN(C(=NP(O)O)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24N5O2P/c1-13-3-7-15(8-4-13)11(12-19(17)18)16-9-5-14(2)6-10-16/h17-18H,3-10H2,1-2H3
InChIKeyHWZXEESJLXVWOJ-UHFFFAOYSA-N
XLogP-0.95
TPSA65.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
1,4-dimethylpiperazine;ethane
CID 91292414
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
N-ethenyl-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 170065630
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
(4-methylpiperazin-1-yl)boronic acid
CID 171614909
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-[(E)-1,2-difluoroethenyl]-4-methylpiperazine
CID 130418379
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021

Frequently Asked Questions

What is the IUPAC name of [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid?
The IUPAC name of [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid (CID 176964293) is [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid.
What is the SMILES notation for [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid?
The canonical SMILES for [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid is CN1CCN(C(=NP(O)O)N2CCN(C)CC2)CC1.
What is the InChIKey of [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid?
The InChIKey is HWZXEESJLXVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N5O2P/c1-13-3-7-15(8-4-13)11(12-19(17)18)16-9-5-14(2)6-10-16/h17-18H,3-10H2,1-2H3.
What are the key properties of [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid?
[bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid has a molecular weight of 289.32 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-methylpiperazin-1-yl)methylideneamino]phosphonous acid is sourced from PubChem (CID 176964293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).