[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide

C9H13F3N3- — CID 154511449

IUPAC[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide
SMILESN#CC1([NH-])CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N3/c10-9(11,12)3-6-15-4-1-8(14,7-13)2-5-15/h14H,1-6H2/q-1
InChIKeyNHQVBQDEXXLLOD-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.35
Rot. Bonds2

About [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide

[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide (PubChem CID 154511449) has the molecular formula C9H13F3N3- and a molecular weight of 220.22 g/mol. Its IUPAC name is [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide.

Molecular Properties

Compound Name[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide
PubChem CID154511449
Molecular FormulaC9H13F3N3-
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide
SMILESN#CC1([NH-])CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N3/c10-9(11,12)3-6-15-4-1-8(14,7-13)2-5-15/h14H,1-6H2/q-1
InChIKeyNHQVBQDEXXLLOD-UHFFFAOYSA-N
XLogP2.35
TPSA50.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide?
The IUPAC name of [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide (CID 154511449) is [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide.
What is the SMILES notation for [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide?
The canonical SMILES for [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide is N#CC1([NH-])CCN(CCC(F)(F)F)CC1.
What is the InChIKey of [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide?
The InChIKey is NHQVBQDEXXLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N3/c10-9(11,12)3-6-15-4-1-8(14,7-13)2-5-15/h14H,1-6H2/q-1.
What are the key properties of [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide?
[4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide has a molecular weight of 220.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyano-1-(3,3,3-trifluoropropyl)piperidin-4-yl]azanide is sourced from PubChem (CID 154511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).