2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine

C12H18FN3 — CID 176552975

IUPAC2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CCN(c2nccnc2F)CC1
InChIInChI=1S/C12H18FN3/c1-9(2)10-3-7-16(8-4-10)12-11(13)14-5-6-15-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKJUUMPCZRWLDNP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.49
Rot. Bonds2

About 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine

2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine (PubChem CID 176552975) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
PubChem CID176552975
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CCN(c2nccnc2F)CC1
InChIInChI=1S/C12H18FN3/c1-9(2)10-3-7-16(8-4-10)12-11(13)14-5-6-15-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKJUUMPCZRWLDNP-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 140878873
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CID 144446585
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CID 163561941
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine (CID 176552975) is 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine is CC(C)C1CCN(c2nccnc2F)CC1.
What is the InChIKey of 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The InChIKey is KJUUMPCZRWLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9(2)10-3-7-16(8-4-10)12-11(13)14-5-6-15-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine?
2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine has a molecular weight of 223.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 176552975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).