2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine

C12H18ClN3 — CID 103054128

IUPAC2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
SMILESCCC1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-10-3-5-16(6-4-10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3
InChIKeyUWUOUNKWQGEANV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine

2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine (PubChem CID 103054128) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
PubChem CID103054128
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
SMILESCCC1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H18ClN3/c1-2-10-3-5-16(6-4-10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3
InChIKeyUWUOUNKWQGEANV-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
CID 103054379
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
CID 103055334
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine (CID 103054128) is 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine is CCC1CCN(Cc2cnc(Cl)cn2)CC1.
What is the InChIKey of 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine?
The InChIKey is UWUOUNKWQGEANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-10-3-5-16(6-4-10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine?
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine has a molecular weight of 239.75 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 103054128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).