1-[(Z)-2-benzylbut-2-enyl]piperazine

C15H22N2 — CID 22628674

IUPAC1-[(Z)-2-benzylbut-2-enyl]piperazine
SMILESC/C=C(/Cc1ccccc1)CN1CCNCC1
InChIInChI=1S/C15H22N2/c1-2-14(12-15-6-4-3-5-7-15)13-17-10-8-16-9-11-17/h2-7,16H,8-13H2,1H3/b14-2-
InChIKeyWENHJMCMORDDGY-VVHNFQOZSA-N
MW230.36 g/mol
LogP2.08
Rot. Bonds4

About 1-[(Z)-2-benzylbut-2-enyl]piperazine

1-[(Z)-2-benzylbut-2-enyl]piperazine (PubChem CID 22628674) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[(Z)-2-benzylbut-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-2-benzylbut-2-enyl]piperazine
PubChem CID22628674
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-[(Z)-2-benzylbut-2-enyl]piperazine
SMILESC/C=C(/Cc1ccccc1)CN1CCNCC1
InChIInChI=1S/C15H22N2/c1-2-14(12-15-6-4-3-5-7-15)13-17-10-8-16-9-11-17/h2-7,16H,8-13H2,1H3/b14-2-
InChIKeyWENHJMCMORDDGY-VVHNFQOZSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
CID 162405117
CID 162405117
2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
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1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
azane;1-benzylpiperazine
CID 174866973
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
CID 54773454
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-phenyl-4-piperazin-1-ylbut-3-en-2-one
CID 71071911
1-(2-phenylpent-2-enyl)-1,4-diazepane
CID 156609005
2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
CID 89249533
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
1-(2-benzylprop-2-enyl)piperidine
CID 53360886

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-benzylbut-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-2-benzylbut-2-enyl]piperazine (CID 22628674) is 1-[(Z)-2-benzylbut-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-2-benzylbut-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-2-benzylbut-2-enyl]piperazine is C/C=C(/Cc1ccccc1)CN1CCNCC1.
What is the InChIKey of 1-[(Z)-2-benzylbut-2-enyl]piperazine?
The InChIKey is WENHJMCMORDDGY-VVHNFQOZSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-14(12-15-6-4-3-5-7-15)13-17-10-8-16-9-11-17/h2-7,16H,8-13H2,1H3/b14-2-.
What are the key properties of 1-[(Z)-2-benzylbut-2-enyl]piperazine?
1-[(Z)-2-benzylbut-2-enyl]piperazine has a molecular weight of 230.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-benzylbut-2-enyl]piperazine is sourced from PubChem (CID 22628674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).