9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane

C16H23F3N4 — CID 97393878

IUPAC9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCN1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)5-9-22-8-1-2-15(13-22)3-10-23(11-4-15)14-12-20-6-7-21-14/h6-7,12H,1-5,8-11,13H2
InChIKeySGCGKUSAPJWPSA-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.11
Rot. Bonds3

About 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane

9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 97393878) has the molecular formula C16H23F3N4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane
PubChem CID97393878
Molecular FormulaC16H23F3N4
Molecular Weight328.38 g/mol
Exact Mass328.19
IUPAC Name9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane
SMILESFC(F)(F)CCN1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H23F3N4/c17-16(18,19)5-9-22-8-1-2-15(13-22)3-10-23(11-4-15)14-12-20-6-7-21-14/h6-7,12H,1-5,8-11,13H2
InChIKeySGCGKUSAPJWPSA-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Cyclohexylmethyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decane
CID 70745389
8-Pyrazin-2-yl-8-azaspiro[4.5]decane
CID 84584354
2-[4-(Trifluoromethyl)piperidin-1-yl]pyrazine
CID 126851061
9-(Cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131645863
2-(4,4-Difluoropiperidin-1-yl)pyrazine
CID 121199090
2-(3-Fluoro-5-methylpiperidin-1-yl)pyrazine
CID 163561941
2-(3-Fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
CID 167364064
2-(4-Prop-2-enylpiperazin-1-yl)-3-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
CID 170162968
2-(4-Ethylpiperidin-1-yl)-3-fluoropyrazine
CID 174276449
2-Fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 176552975
6-[3-(Trifluoromethyl)piperidin-1-yl]pyrazin-2-amine
CID 78989023
6-[4-(Trifluoromethyl)piperidin-1-yl]pyrazin-2-amine
CID 79033363

Frequently Asked Questions

What is the IUPAC name of 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane (CID 97393878) is 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane is FC(F)(F)CCN1CCCC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is SGCGKUSAPJWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4/c17-16(18,19)5-9-22-8-1-2-15(13-22)3-10-23(11-4-15)14-12-20-6-7-21-14/h6-7,12H,1-5,8-11,13H2.
What are the key properties of 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane?
9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 328.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97393878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).