N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline

C15H23N3 — CID 143277859

IUPACN-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline
SMILESCC/C=C(/N1CCNCC1)N(C)c1ccccc1
InChIInChI=1S/C15H23N3/c1-3-7-15(18-12-10-16-11-13-18)17(2)14-8-5-4-6-9-14/h4-9,16H,3,10-13H2,1-2H3/b15-7+
InChIKeyMZJNYFFMCAHCTM-VIZOYTHASA-N
MW245.37 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline

N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline (PubChem CID 143277859) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline
PubChem CID143277859
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline
SMILESCC/C=C(/N1CCNCC1)N(C)c1ccccc1
InChIInChI=1S/C15H23N3/c1-3-7-15(18-12-10-16-11-13-18)17(2)14-8-5-4-6-9-14/h4-9,16H,3,10-13H2,1-2H3/b15-7+
InChIKeyMZJNYFFMCAHCTM-VIZOYTHASA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline?
The IUPAC name of N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline (CID 143277859) is N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline.
What is the SMILES notation for N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline?
The canonical SMILES for N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline is CC/C=C(/N1CCNCC1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline?
The InChIKey is MZJNYFFMCAHCTM-VIZOYTHASA-N. The full InChI is InChI=1S/C15H23N3/c1-3-7-15(18-12-10-16-11-13-18)17(2)14-8-5-4-6-9-14/h4-9,16H,3,10-13H2,1-2H3/b15-7+.
What are the key properties of N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline?
N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline has a molecular weight of 245.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-1-piperazin-1-ylbut-1-enyl]aniline is sourced from PubChem (CID 143277859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).