(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

C9H15ClF2N4O — CID 166099605

IUPAC(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESC[C@H](N)c1nc(N2CCCC(F)(F)C2)no1.Cl
InChIInChI=1S/C9H14F2N4O.ClH/c1-6(12)7-13-8(14-16-7)15-4-2-3-9(10,11)5-15;/h6H,2-5,12H2,1H3;1H/t6-;/m0./s1
InChIKeyPOKFOPRIUOUQOQ-RGMNGODLSA-N
MW268.69 g/mol
LogP1.75
Rot. Bonds2

About (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 166099605) has the molecular formula C9H15ClF2N4O and a molecular weight of 268.69 g/mol. Its IUPAC name is (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID166099605
Molecular FormulaC9H15ClF2N4O
Molecular Weight268.69 g/mol
Exact Mass268.09
IUPAC Name(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESC[C@H](N)c1nc(N2CCCC(F)(F)C2)no1.Cl
InChIInChI=1S/C9H14F2N4O.ClH/c1-6(12)7-13-8(14-16-7)15-4-2-3-9(10,11)5-15;/h6H,2-5,12H2,1H3;1H/t6-;/m0./s1
InChIKeyPOKFOPRIUOUQOQ-RGMNGODLSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 166099605) is (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is C[C@H](N)c1nc(N2CCCC(F)(F)C2)no1.Cl.
What is the InChIKey of (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is POKFOPRIUOUQOQ-RGMNGODLSA-N. The full InChI is InChI=1S/C9H14F2N4O.ClH/c1-6(12)7-13-8(14-16-7)15-4-2-3-9(10,11)5-15;/h6H,2-5,12H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 268.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 166099605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).