4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

C14H23N3O — CID 134505455

IUPAC4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCc1cnc(CC2(O)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)17-6-4-14(18,5-7-17)8-13-10-15-12(3)9-16-13/h9-11,18H,4-8H2,1-3H3
InChIKeyLJNAWBRZSSQZFX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.56
Rot. Bonds3

About 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol

4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 134505455) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
PubChem CID134505455
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
SMILESCc1cnc(CC2(O)CCN(C(C)C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)17-6-4-14(18,5-7-17)8-13-10-15-12(3)9-16-13/h9-11,18H,4-8H2,1-3H3
InChIKeyLJNAWBRZSSQZFX-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol (CID 134505455) is 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is Cc1cnc(CC2(O)CCN(C(C)C)CC2)cn1.
What is the InChIKey of 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is LJNAWBRZSSQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-6-4-14(18,5-7-17)8-13-10-15-12(3)9-16-13/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol?
4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 249.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrazin-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 134505455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).