2-(4-methylpiperazin-1-yl)-5-phenylaniline

C17H21N3 — CID 175786504

IUPAC2-(4-methylpiperazin-1-yl)-5-phenylaniline
SMILESCN1CCN(c2ccc(-c3ccccc3)cc2N)CC1
InChIInChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-8-7-15(13-16(17)18)14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyRMQAAONOCRDGGE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-phenylaniline

2-(4-methylpiperazin-1-yl)-5-phenylaniline (PubChem CID 175786504) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-phenylaniline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-phenylaniline
PubChem CID175786504
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(4-methylpiperazin-1-yl)-5-phenylaniline
SMILESCN1CCN(c2ccc(-c3ccccc3)cc2N)CC1
InChIInChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-8-7-15(13-16(17)18)14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyRMQAAONOCRDGGE-UHFFFAOYSA-N
XLogP2.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
CID 91408715
2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenyl-1,3-dihydroisoindole
CID 90941679
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
4-(4-methylpiperazin-1-yl)-3-phenylbenzaldehyde
CID 11482900
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613
5,10-dimethyl-2-phenylphenazine
CID 22055373
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline
CID 69213443
2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
CID 167284954
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
5-phenyl-2-pyrrolidin-1-ylbenzenethiol
CID 156814877
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenylaniline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-phenylaniline (CID 175786504) is 2-(4-methylpiperazin-1-yl)-5-phenylaniline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-phenylaniline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-phenylaniline is CN1CCN(c2ccc(-c3ccccc3)cc2N)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-phenylaniline?
The InChIKey is RMQAAONOCRDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-8-7-15(13-16(17)18)14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-phenylaniline?
2-(4-methylpiperazin-1-yl)-5-phenylaniline has a molecular weight of 267.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-phenylaniline is sourced from PubChem (CID 175786504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).