2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine

C14H16ClN5 — CID 107373291

IUPAC2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
SMILESClCc1cnc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-9-12-10-18-14(11-17-12)20-7-5-19(6-8-20)13-3-1-2-4-16-13/h1-4,10-11H,5-9H2
InChIKeyDVVNSBUWZATWON-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.94
Rot. Bonds3

About 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine

2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine (PubChem CID 107373291) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
PubChem CID107373291
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
SMILESClCc1cnc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C14H16ClN5/c15-9-12-10-18-14(11-17-12)20-7-5-19(6-8-20)13-3-1-2-4-16-13/h1-4,10-11H,5-9H2
InChIKeyDVVNSBUWZATWON-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
1-[2-(chloromethyl)prop-2-enyl]-4-pyridin-2-ylpiperazine
CID 103067602
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine (CID 107373291) is 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine is ClCc1cnc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is DVVNSBUWZATWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-9-12-10-18-14(11-17-12)20-7-5-19(6-8-20)13-3-1-2-4-16-13/h1-4,10-11H,5-9H2.
What are the key properties of 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine?
2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 289.77 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 107373291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).