2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline

C19H23N3 — CID 145076035

IUPAC2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline
SMILESC=Cc1c(N)cc(C)cc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3/c1-3-17-18(20)13-15(2)14-19(17)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h3-8,13-14H,1,9-12,20H2,2H3
InChIKeyRBTBAKFRPYCCCM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.55
Rot. Bonds3

About 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline

2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline (PubChem CID 145076035) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline
PubChem CID145076035
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline
SMILESC=Cc1c(N)cc(C)cc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3/c1-3-17-18(20)13-15(2)14-19(17)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h3-8,13-14H,1,9-12,20H2,2H3
InChIKeyRBTBAKFRPYCCCM-UHFFFAOYSA-N
XLogP3.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline?
The IUPAC name of 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline (CID 145076035) is 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline?
The canonical SMILES for 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline is C=Cc1c(N)cc(C)cc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline?
The InChIKey is RBTBAKFRPYCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-17-18(20)13-15(2)14-19(17)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h3-8,13-14H,1,9-12,20H2,2H3.
What are the key properties of 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline?
2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline has a molecular weight of 293.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyl-3-(4-phenylpiperazin-1-yl)aniline is sourced from PubChem (CID 145076035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).