N-methyl-1-piperazin-1-ylmethanimine

C6H13N3 — CID 58852034

IUPACN-methyl-1-piperazin-1-ylmethanimine
SMILESC/N=C/N1CCNCC1
InChIInChI=1S/C6H13N3/c1-7-6-9-4-2-8-3-5-9/h6,8H,2-5H2,1H3/b7-6+
InChIKeyVLFOONLJLTYLPI-VOTSOKGWSA-N
MW127.19 g/mol
LogP-0.45
Rot. Bonds1

About N-methyl-1-piperazin-1-ylmethanimine

N-methyl-1-piperazin-1-ylmethanimine (PubChem CID 58852034) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-1-piperazin-1-ylmethanimine.

Molecular Properties

Compound NameN-methyl-1-piperazin-1-ylmethanimine
PubChem CID58852034
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methyl-1-piperazin-1-ylmethanimine
SMILESC/N=C/N1CCNCC1
InChIInChI=1S/C6H13N3/c1-7-6-9-4-2-8-3-5-9/h6,8H,2-5H2,1H3/b7-6+
InChIKeyVLFOONLJLTYLPI-VOTSOKGWSA-N
XLogP-0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperazin-1-ylmethanimine?
The IUPAC name of N-methyl-1-piperazin-1-ylmethanimine (CID 58852034) is N-methyl-1-piperazin-1-ylmethanimine.
What is the SMILES notation for N-methyl-1-piperazin-1-ylmethanimine?
The canonical SMILES for N-methyl-1-piperazin-1-ylmethanimine is C/N=C/N1CCNCC1.
What is the InChIKey of N-methyl-1-piperazin-1-ylmethanimine?
The InChIKey is VLFOONLJLTYLPI-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-6-9-4-2-8-3-5-9/h6,8H,2-5H2,1H3/b7-6+.
What are the key properties of N-methyl-1-piperazin-1-ylmethanimine?
N-methyl-1-piperazin-1-ylmethanimine has a molecular weight of 127.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperazin-1-ylmethanimine is sourced from PubChem (CID 58852034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).