1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol

C10H14ClN3O — CID 81108932

IUPAC1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c1-10(15)2-6-14(7-3-10)9-8(11)12-4-5-13-9/h4-5,15H,2-3,6-7H2,1H3
InChIKeyHRBMKEIYLCUXBM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.48
Rot. Bonds1

About 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol

1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol (PubChem CID 81108932) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol
PubChem CID81108932
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c1-10(15)2-6-14(7-3-10)9-8(11)12-4-5-13-9/h4-5,15H,2-3,6-7H2,1H3
InChIKeyHRBMKEIYLCUXBM-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol (CID 81108932) is 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2nccnc2Cl)CC1.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is HRBMKEIYLCUXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(15)2-6-14(7-3-10)9-8(11)12-4-5-13-9/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol?
1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 227.69 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).