propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine

C19H32N2 — CID 165119278

IUPACpropane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C/c1ccc(N2CCNCC2)cc1.C=CC.CCC
InChIInChI=1S/C13H18N2.C3H8.C3H6/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;2*1-3-2/h2-7,14H,8-11H2,1H3;3H2,1-2H3;3H,1H2,2H3/b3-2+;;
InChIKeyJLFKWYCTEUWCIG-WTVBWJGASA-N
MW288.48 g/mol
LogP4.74
Rot. Bonds2

About propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine

propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine (PubChem CID 165119278) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine.

Molecular Properties

Compound Namepropane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
PubChem CID165119278
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Namepropane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
SMILESC/C=C/c1ccc(N2CCNCC2)cc1.C=CC.CCC
InChIInChI=1S/C13H18N2.C3H8.C3H6/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;2*1-3-2/h2-7,14H,8-11H2,1H3;3H2,1-2H3;3H,1H2,2H3/b3-2+;;
InChIKeyJLFKWYCTEUWCIG-WTVBWJGASA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine
CID 165119276
1-(4-ethenylphenyl)piperazine;methane
CID 159070972
N-methyl-3-(4-piperazin-1-ylphenyl)prop-2-en-1-amine
CID 169474344
4-(4-piperazin-1-ylphenyl)but-3-enamide
CID 170798696
1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
CID 169462483
1-(4-but-1-enylphenyl)aziridine
CID 154114150
S-[4-(4-piperazin-1-ylphenyl)but-3-enyl] ethanethioate
CID 170480906
magnesium;1-phenylpiperazine;propane;hydrobromide
CID 173457865
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
2-iodo-4-[2-(4-piperazin-1-ylphenyl)ethenyl]phenol
CID 72637312
4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
CID 72581664

Frequently Asked Questions

What is the IUPAC name of propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine?
The IUPAC name of propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine (CID 165119278) is propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine.
What is the SMILES notation for propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine?
The canonical SMILES for propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine is C/C=C/c1ccc(N2CCNCC2)cc1.C=CC.CCC.
What is the InChIKey of propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine?
The InChIKey is JLFKWYCTEUWCIG-WTVBWJGASA-N. The full InChI is InChI=1S/C13H18N2.C3H8.C3H6/c1-2-3-12-4-6-13(7-5-12)15-10-8-14-9-11-15;2*1-3-2/h2-7,14H,8-11H2,1H3;3H2,1-2H3;3H,1H2,2H3/b3-2+;;.
What are the key properties of propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine?
propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine has a molecular weight of 288.48 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;prop-1-ene;1-[4-[(E)-prop-1-enyl]phenyl]piperazine is sourced from PubChem (CID 165119278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).