1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone

C18H21N3O2 — CID 110254829

IUPAC1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nccnc2-c2ccc(CO)cc2)C1
InChIInChI=1S/C18H21N3O2/c1-13(23)21-10-2-3-16(11-21)18-17(19-8-9-20-18)15-6-4-14(12-22)5-7-15/h4-9,16,22H,2-3,10-12H2,1H3
InChIKeyGNRKAIJDMUCRDS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.36
Rot. Bonds3

About 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110254829) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110254829
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nccnc2-c2ccc(CO)cc2)C1
InChIInChI=1S/C18H21N3O2/c1-13(23)21-10-2-3-16(11-21)18-17(19-8-9-20-18)15-6-4-14(12-22)5-7-15/h4-9,16,22H,2-3,10-12H2,1H3
InChIKeyGNRKAIJDMUCRDS-UHFFFAOYSA-N
XLogP2.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110254829) is 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nccnc2-c2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GNRKAIJDMUCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(23)21-10-2-3-16(11-21)18-17(19-8-9-20-18)15-6-4-14(12-22)5-7-15/h4-9,16,22H,2-3,10-12H2,1H3.
What are the key properties of 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110254829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).