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

C12H18ClN3O — CID 121201431

IUPAC2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
SMILESCCOCC1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C12H18ClN3O/c1-2-17-9-10-4-3-7-16(8-10)12-11(13)14-5-6-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyBQNLWCABSOUQJM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.38
Rot. Bonds4

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

2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine (PubChem CID 121201431) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
PubChem CID121201431
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
SMILESCCOCC1CCCN(c2nccnc2Cl)C1
InChIInChI=1S/C12H18ClN3O/c1-2-17-9-10-4-3-7-16(8-10)12-11(13)14-5-6-15-12/h5-6,10H,2-4,7-9H2,1H3
InChIKeyBQNLWCABSOUQJM-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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Related Compounds

7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 123680686
(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
CID 129495606
2-chloro-3-[(3S)-3-(difluoromethyl)piperidin-1-yl]pyrazine
CID 129498626
4-chloro-2-[3-(ethoxymethyl)piperidin-1-yl]benzonitrile
CID 133304344
2-chloro-3-(3-methoxyazetidin-1-yl)pyrazine
CID 121201368
2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 129499527
2-chloro-3-[4-(2-methoxyethyl)piperidin-1-yl]pyrazine
CID 121201616
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
CID 129499164
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine (CID 121201431) is 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine is CCOCC1CCCN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine?
The InChIKey is BQNLWCABSOUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-17-9-10-4-3-7-16(8-10)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-[3-(ethoxymethyl)piperidin-1-yl]pyrazine?
2-chloro-3-[3-(ethoxymethyl)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-[3-(ethoxymethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 121201431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).