2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine

C17H21ClN4 — CID 110186182

IUPAC2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
SMILESClc1cncc(N2CCN(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN4/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/h1-3,5-6,13-14H,4,7-12H2
InChIKeyKPDWDZTVNGZLOB-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.88
Rot. Bonds5

About 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine

2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine (PubChem CID 110186182) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
PubChem CID110186182
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
SMILESClc1cncc(N2CCN(CCCc3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN4/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/h1-3,5-6,13-14H,4,7-12H2
InChIKeyKPDWDZTVNGZLOB-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
CID 15124613
4-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086474
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267639
2-(4-benzylpiperazin-1-yl)-6-(chloromethyl)pyrazine
CID 66466862
4-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 14086441
8-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
CID 21271613
4-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5-dione
CID 14086495
3-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-9-oxa-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 14156377
5-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-5-azapentacyclo[6.4.0.02,10.03,7.09,11]dodecane-4,6-dione
CID 14099295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine (CID 110186182) is 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine is Clc1cncc(N2CCN(CCCc3ccccc3)CC2)n1.
What is the InChIKey of 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine?
The InChIKey is KPDWDZTVNGZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/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/h1-3,5-6,13-14H,4,7-12H2.
What are the key properties of 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine?
2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine has a molecular weight of 316.84 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 110186182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).