1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one

C12H24N4O — CID 123802831

IUPAC1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one
SMILESCN(N)CC1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C12H24N4O/c1-15(13)9-10-2-4-11(5-3-10)16-7-6-14-8-12(16)17/h10-11,14H,2-9,13H2,1H3
InChIKeyULZPHZMDSMKHFW-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.22
Rot. Bonds3

About 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one

1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one (PubChem CID 123802831) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one
PubChem CID123802831
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one
SMILESCN(N)CC1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C12H24N4O/c1-15(13)9-10-2-4-11(5-3-10)16-7-6-14-8-12(16)17/h10-11,14H,2-9,13H2,1H3
InChIKeyULZPHZMDSMKHFW-UHFFFAOYSA-N
XLogP-0.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one?
The IUPAC name of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one (CID 123802831) is 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one.
What is the SMILES notation for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one?
The canonical SMILES for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one is CN(N)CC1CCC(N2CCNCC2=O)CC1.
What is the InChIKey of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one?
The InChIKey is ULZPHZMDSMKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15(13)9-10-2-4-11(5-3-10)16-7-6-14-8-12(16)17/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one?
1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one has a molecular weight of 240.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one is sourced from PubChem (CID 123802831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).