2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine

C11H16ClN3 — CID 147281471

IUPAC2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
SMILESCN1CCC(Cc2cncc(Cl)n2)CC1
InChIInChI=1S/C11H16ClN3/c1-15-4-2-9(3-5-15)6-10-7-13-8-11(12)14-10/h7-9H,2-6H2,1H3
InChIKeyCSJRRDOTBHYUSX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine

2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine (PubChem CID 147281471) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
PubChem CID147281471
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine
SMILESCN1CCC(Cc2cncc(Cl)n2)CC1
InChIInChI=1S/C11H16ClN3/c1-15-4-2-9(3-5-15)6-10-7-13-8-11(12)14-10/h7-9H,2-6H2,1H3
InChIKeyCSJRRDOTBHYUSX-UHFFFAOYSA-N
XLogP2.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 175661913
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine
CID 148542218
4-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 117105464
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820834
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
CID 117105324
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
5-[(1-methylpiperidin-4-yl)methyl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine (CID 147281471) is 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine is CN1CCC(Cc2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is CSJRRDOTBHYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15-4-2-9(3-5-15)6-10-7-13-8-11(12)14-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine?
2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 225.72 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-methylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 147281471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).