1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine

C11H24ClN4OP — CID 110186337

IUPAC1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine
SMILESCN1CCN(P(=O)(CCl)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24ClN4OP/c1-13-3-7-15(8-4-13)18(17,11-12)16-9-5-14(2)6-10-16/h3-11H2,1-2H3
InChIKeyIDZDBVJSRPOXDY-UHFFFAOYSA-N
MW294.77 g/mol
LogP0.87
Rot. Bonds3

About 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine

1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine (PubChem CID 110186337) has the molecular formula C11H24ClN4OP and a molecular weight of 294.77 g/mol. Its IUPAC name is 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine
PubChem CID110186337
Molecular FormulaC11H24ClN4OP
Molecular Weight294.77 g/mol
Exact Mass294.14
IUPAC Name1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine
SMILESCN1CCN(P(=O)(CCl)N2CCN(C)CC2)CC1
InChIInChI=1S/C11H24ClN4OP/c1-13-3-7-15(8-4-13)18(17,11-12)16-9-5-14(2)6-10-16/h3-11H2,1-2H3
InChIKeyIDZDBVJSRPOXDY-UHFFFAOYSA-N
XLogP0.87
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
CID 146602182
N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126613480
1,4-dimethylpiperazine;ethane
CID 91292414
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-methylpiperazine
CID 66678116
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
CID 58904413
dichloromethane;1-methylpiperazine
CID 86740651
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane
CID 67593861
1-(4-chlorobutyl)-4-methylpiperazine;dihydrochloride
CID 18413139
1-(chloromethylsulfonyl)-4-methyl-1,4-diazepane
CID 63664100

Frequently Asked Questions

What is the IUPAC name of 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine?
The IUPAC name of 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine (CID 110186337) is 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine.
What is the SMILES notation for 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine?
The canonical SMILES for 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine is CN1CCN(P(=O)(CCl)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine?
The InChIKey is IDZDBVJSRPOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN4OP/c1-13-3-7-15(8-4-13)18(17,11-12)16-9-5-14(2)6-10-16/h3-11H2,1-2H3.
What are the key properties of 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine?
1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine has a molecular weight of 294.77 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine is sourced from PubChem (CID 110186337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).