2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine

C12H18ClN3O — CID 121201616

IUPAC2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine
SMILESCOCCC1CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3O/c1-17-9-4-10-2-7-16(8-3-10)12-11(13)14-5-6-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyAFINHHSTWKXMIU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine

2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine (PubChem CID 121201616) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine
PubChem CID121201616
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine
SMILESCOCCC1CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3O/c1-17-9-4-10-2-7-16(8-3-10)12-11(13)14-5-6-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyAFINHHSTWKXMIU-UHFFFAOYSA-N
XLogP2.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine (CID 121201616) is 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine is COCCC1CCN(c2nccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine?
The InChIKey is AFINHHSTWKXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-17-9-4-10-2-7-16(8-3-10)12-11(13)14-5-6-15-12/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine?
2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine has a molecular weight of 255.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 121201616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).