(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol

C11H15ClFN3O — CID 129497640

IUPAC(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
SMILESO[C@H]1CCN(c2nccnc2Cl)C[C@@H]1CCF
InChIInChI=1S/C11H15ClFN3O/c12-10-11(15-5-4-14-10)16-6-2-9(17)8(7-16)1-3-13/h4-5,8-9,17H,1-3,6-7H2/t8-,9-/m0/s1
InChIKeyGYGRCSSJBWYZTN-IUCAKERBSA-N
MW259.71 g/mol
LogP1.68
Rot. Bonds3

About (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol

(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol (PubChem CID 129497640) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
PubChem CID129497640
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
SMILESO[C@H]1CCN(c2nccnc2Cl)C[C@@H]1CCF
InChIInChI=1S/C11H15ClFN3O/c12-10-11(15-5-4-14-10)16-6-2-9(17)8(7-16)1-3-13/h4-5,8-9,17H,1-3,6-7H2/t8-,9-/m0/s1
InChIKeyGYGRCSSJBWYZTN-IUCAKERBSA-N
XLogP1.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-Chloropyrazin-2-yl)-4-fluoropiperidin-4-yl]methanol
CID 139402145
1-(6-Chloropyrazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
CID 113341159
2-Chloro-3-(4-(fluoromethyl)piperidin-1-yl)pyrazine
CID 121200934
2-Chloro-3-(3-(fluoromethyl)piperidin-1-yl)pyrazine
CID 121200974
2-Chloro-3-(4-(2-fluoroethyl)piperidin-1-yl)pyrazine
CID 121201057
1-(3-Chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
CID 121203060
(3R,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
CID 129497530
(3S,4R)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
CID 129497531
(3R,4R)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol
CID 129497641
2-chloro-3-[(3S)-3-(fluoromethyl)piperidin-1-yl]pyrazine
CID 129498913
2-chloro-3-[(3R)-3-(fluoromethyl)piperidin-1-yl]pyrazine
CID 129498916
1-(3-Fluoropyrazin-2-yl)piperidin-4-ol
CID 164648148

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol (CID 129497640) is (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol is O[C@H]1CCN(c2nccnc2Cl)C[C@@H]1CCF.
What is the InChIKey of (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol?
The InChIKey is GYGRCSSJBWYZTN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-10-11(15-5-4-14-10)16-6-2-9(17)8(7-16)1-3-13/h4-5,8-9,17H,1-3,6-7H2/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol?
(3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol has a molecular weight of 259.71 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-chloropyrazin-2-yl)-3-(2-fluoroethyl)piperidin-4-ol is sourced from PubChem (CID 129497640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).