1-methylpiperazine;N-phenylaniline

C17H23N3 — CID 161010175

IUPAC1-methylpiperazine;N-phenylaniline
SMILESCN1CCNCC1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C5H12N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4-2-6-3-5-7/h1-10,13H;6H,2-5H2,1H3
InChIKeyTXALWJDKHWLYQO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.95
Rot. Bonds2

About 1-methylpiperazine;N-phenylaniline

1-methylpiperazine;N-phenylaniline (PubChem CID 161010175) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-methylpiperazine;N-phenylaniline.

Molecular Properties

Compound Name1-methylpiperazine;N-phenylaniline
PubChem CID161010175
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-methylpiperazine;N-phenylaniline
SMILESCN1CCNCC1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C5H12N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4-2-6-3-5-7/h1-10,13H;6H,2-5H2,1H3
InChIKeyTXALWJDKHWLYQO-UHFFFAOYSA-N
XLogP2.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;N-phenylaniline?
The IUPAC name of 1-methylpiperazine;N-phenylaniline (CID 161010175) is 1-methylpiperazine;N-phenylaniline.
What is the SMILES notation for 1-methylpiperazine;N-phenylaniline?
The canonical SMILES for 1-methylpiperazine;N-phenylaniline is CN1CCNCC1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-methylpiperazine;N-phenylaniline?
The InChIKey is TXALWJDKHWLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C5H12N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4-2-6-3-5-7/h1-10,13H;6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;N-phenylaniline?
1-methylpiperazine;N-phenylaniline has a molecular weight of 269.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;N-phenylaniline is sourced from PubChem (CID 161010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).