2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine

C17H19ClN4 — CID 51308937

IUPAC2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
SMILESClc1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C17H19ClN4/c18-16-13-19-14-17(20-16)22-11-9-21(10-12-22)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/b7-4+
InChIKeyUAKKJDIKTTZNTR-QPJJXVBHSA-N
MW314.82 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine

2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine (PubChem CID 51308937) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
PubChem CID51308937
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
SMILESClc1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C17H19ClN4/c18-16-13-19-14-17(20-16)22-11-9-21(10-12-22)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/b7-4+
InChIKeyUAKKJDIKTTZNTR-QPJJXVBHSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
CID 110186182
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
1-[(E)-3-phenylprop-2-enyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 44768199
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
CID 112939742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine (CID 51308937) is 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine is Clc1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The InChIKey is UAKKJDIKTTZNTR-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H19ClN4/c18-16-13-19-14-17(20-16)22-11-9-21(10-12-22)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/b7-4+.
What are the key properties of 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine has a molecular weight of 314.82 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 51308937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).