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

C14H19ClN2 — CID 107901402

IUPAC2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
SMILESCl/C=C/CN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H19ClN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-7,14,16H,8-12H2/b7-4+
InChIKeyAMHISLCKEFXEJW-QPJJXVBHSA-N
MW250.77 g/mol
LogP2.26
Rot. Bonds4

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

2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine (PubChem CID 107901402) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine.

Molecular Properties

Compound Name2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
PubChem CID107901402
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
SMILESCl/C=C/CN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H19ClN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-7,14,16H,8-12H2/b7-4+
InChIKeyAMHISLCKEFXEJW-QPJJXVBHSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine?
The IUPAC name of 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine (CID 107901402) is 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine.
What is the SMILES notation for 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine?
The canonical SMILES for 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine is Cl/C=C/CN1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine?
The InChIKey is AMHISLCKEFXEJW-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-7,14,16H,8-12H2/b7-4+.
What are the key properties of 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine?
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine has a molecular weight of 250.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine is sourced from PubChem (CID 107901402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).