N-methylaniline;piperazine

C11H19N3 — CID 157393585

IUPACN-methylaniline;piperazine
SMILESC1CNCCN1.CNc1ccccc1
InChIInChI=1S/C7H9N.C4H10N2/c1-8-7-5-3-2-4-6-7;1-2-6-4-3-5-1/h2-6,8H,1H3;5-6H,1-4H2
InChIKeyBMHPCSJAHMGEHR-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.91
Rot. Bonds1

About N-methylaniline;piperazine

N-methylaniline;piperazine (PubChem CID 157393585) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methylaniline;piperazine.

Molecular Properties

Compound NameN-methylaniline;piperazine
PubChem CID157393585
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methylaniline;piperazine
SMILESC1CNCCN1.CNc1ccccc1
InChIInChI=1S/C7H9N.C4H10N2/c1-8-7-5-3-2-4-6-7;1-2-6-4-3-5-1/h2-6,8H,1H3;5-6H,1-4H2
InChIKeyBMHPCSJAHMGEHR-UHFFFAOYSA-N
XLogP0.91
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylaniline;piperazine?
The IUPAC name of N-methylaniline;piperazine (CID 157393585) is N-methylaniline;piperazine.
What is the SMILES notation for N-methylaniline;piperazine?
The canonical SMILES for N-methylaniline;piperazine is C1CNCCN1.CNc1ccccc1.
What is the InChIKey of N-methylaniline;piperazine?
The InChIKey is BMHPCSJAHMGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H10N2/c1-8-7-5-3-2-4-6-7;1-2-6-4-3-5-1/h2-6,8H,1H3;5-6H,1-4H2.
What are the key properties of N-methylaniline;piperazine?
N-methylaniline;piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylaniline;piperazine is sourced from PubChem (CID 157393585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).