2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine

C14H23N3O2 — CID 164640191

IUPAC2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CC[C@H](OC)C(C)(C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-5-19-13-9-15-8-12(16-13)17-7-6-11(18-4)14(2,3)10-17/h8-9,11H,5-7,10H2,1-4H3/t11-/m0/s1
InChIKeyDLPPILRYRHZLAC-NSHDSACASA-N
MW265.36 g/mol
LogP2.13
Rot. Bonds4

About 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine

2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine (PubChem CID 164640191) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine
PubChem CID164640191
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine
SMILESCCOc1cncc(N2CC[C@H](OC)C(C)(C)C2)n1
InChIInChI=1S/C14H23N3O2/c1-5-19-13-9-15-8-12(16-13)17-7-6-11(18-4)14(2,3)10-17/h8-9,11H,5-7,10H2,1-4H3/t11-/m0/s1
InChIKeyDLPPILRYRHZLAC-NSHDSACASA-N
XLogP2.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine?
The IUPAC name of 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine (CID 164640191) is 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine.
What is the SMILES notation for 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine?
The canonical SMILES for 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine is CCOc1cncc(N2CC[C@H](OC)C(C)(C)C2)n1.
What is the InChIKey of 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine?
The InChIKey is DLPPILRYRHZLAC-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-19-13-9-15-8-12(16-13)17-7-6-11(18-4)14(2,3)10-17/h8-9,11H,5-7,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine?
2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine has a molecular weight of 265.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]pyrazine is sourced from PubChem (CID 164640191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).