2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine

C12H18ClN3O — CID 102960945

IUPAC2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCC(C)C(Cl)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-17-12-7-14-6-11(15-12)16-5-4-9(2)10(13)8-16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMGTZCZRPIXZBBW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.33
Rot. Bonds3

About 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine

2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine (PubChem CID 102960945) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine.

Molecular Properties

Compound Name2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
PubChem CID102960945
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCC(C)C(Cl)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-17-12-7-14-6-11(15-12)16-5-4-9(2)10(13)8-16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMGTZCZRPIXZBBW-UHFFFAOYSA-N
XLogP2.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
N-(cyclopropylmethyl)-1-(6-ethoxypyrazin-2-yl)piperidin-4-amine
CID 115307461
2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 99802324
2-ethoxy-6-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 102563969
2-[1-(6-ethoxypyrazin-2-yl)piperidin-4-yl]oxyethanamine
CID 82693310
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
CID 114278501
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962
2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine
CID 64980765
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine?
The IUPAC name of 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine (CID 102960945) is 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine.
What is the SMILES notation for 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine?
The canonical SMILES for 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine is CCOc1cncc(N2CCC(C)C(Cl)C2)n1.
What is the InChIKey of 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine?
The InChIKey is MGTZCZRPIXZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-17-12-7-14-6-11(15-12)16-5-4-9(2)10(13)8-16/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine?
2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine has a molecular weight of 255.75 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine is sourced from PubChem (CID 102960945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).