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

C14H23N3O — CID 145380378

IUPAC2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol
SMILESCc1cnc(N2CCC(CC(C)(C)O)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-9-16-13(10-15-11)17-6-4-12(5-7-17)8-14(2,3)18/h9-10,12,18H,4-8H2,1-3H3
InChIKeySMKJWLFLWCDZEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.16
Rot. Bonds3

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

2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol (PubChem CID 145380378) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol
PubChem CID145380378
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol
SMILESCc1cnc(N2CCC(CC(C)(C)O)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-9-16-13(10-15-11)17-6-4-12(5-7-17)8-14(2,3)18/h9-10,12,18H,4-8H2,1-3H3
InChIKeySMKJWLFLWCDZEJ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol (CID 145380378) is 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol is Cc1cnc(N2CCC(CC(C)(C)O)CC2)cn1.
What is the InChIKey of 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is SMKJWLFLWCDZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-16-13(10-15-11)17-6-4-12(5-7-17)8-14(2,3)18/h9-10,12,18H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol?
2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 145380378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).