1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol

C16H28N4O — CID 72843498

IUPAC1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(c2nccnc2N(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)11-14(21)13-5-9-20(10-6-13)16-15(19(3)4)17-7-8-18-16/h7-8,12-14,21H,5-6,9-11H2,1-4H3
InChIKeyFAIDECURFPJJJT-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.17
Rot. Bonds5

About 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol

1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 72843498) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID72843498
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(c2nccnc2N(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)11-14(21)13-5-9-20(10-6-13)16-15(19(3)4)17-7-8-18-16/h7-8,12-14,21H,5-6,9-11H2,1-4H3
InChIKeyFAIDECURFPJJJT-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-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 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol (CID 72843498) is 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)C1CCN(c2nccnc2N(C)C)CC1.
What is the InChIKey of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is FAIDECURFPJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)11-14(21)13-5-9-20(10-6-13)16-15(19(3)4)17-7-8-18-16/h7-8,12-14,21H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)pyrazin-2-yl]piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 72843498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).