3-benzyl-1-[(E)-but-2-enyl]piperazine

C15H22N2 — CID 107897866

IUPAC3-benzyl-1-[(E)-but-2-enyl]piperazine
SMILESC/C=C/CN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-2-3-10-17-11-9-16-15(13-17)12-14-7-5-4-6-8-14/h2-8,15-16H,9-13H2,1H3/b3-2+
InChIKeyWBSFJIMRQXPLOI-NSCUHMNNSA-N
MW230.36 g/mol
LogP2.08
Rot. Bonds4

About 3-benzyl-1-[(E)-but-2-enyl]piperazine

3-benzyl-1-[(E)-but-2-enyl]piperazine (PubChem CID 107897866) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-benzyl-1-[(E)-but-2-enyl]piperazine.

Molecular Properties

Compound Name3-benzyl-1-[(E)-but-2-enyl]piperazine
PubChem CID107897866
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-benzyl-1-[(E)-but-2-enyl]piperazine
SMILESC/C=C/CN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-2-3-10-17-11-9-16-15(13-17)12-14-7-5-4-6-8-14/h2-8,15-16H,9-13H2,1H3/b3-2+
InChIKeyWBSFJIMRQXPLOI-NSCUHMNNSA-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

3-benzyl-1-[(E)-but-2-enyl]-1,4-diazepane
CID 114013963
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
3-benzyl-1-octylpiperazine
CID 64833102
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
3-benzyl-1-(furan-2-ylmethyl)piperazine
CID 64924799
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(E)-but-2-enyl]piperazine?
The IUPAC name of 3-benzyl-1-[(E)-but-2-enyl]piperazine (CID 107897866) is 3-benzyl-1-[(E)-but-2-enyl]piperazine.
What is the SMILES notation for 3-benzyl-1-[(E)-but-2-enyl]piperazine?
The canonical SMILES for 3-benzyl-1-[(E)-but-2-enyl]piperazine is C/C=C/CN1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-[(E)-but-2-enyl]piperazine?
The InChIKey is WBSFJIMRQXPLOI-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-3-10-17-11-9-16-15(13-17)12-14-7-5-4-6-8-14/h2-8,15-16H,9-13H2,1H3/b3-2+.
What are the key properties of 3-benzyl-1-[(E)-but-2-enyl]piperazine?
3-benzyl-1-[(E)-but-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 3-benzyl-1-[(E)-but-2-enyl]piperazine is sourced from PubChem (CID 107897866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).