2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile

C10H15F3N2 — CID 60648096

IUPAC2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
SMILESCC(C#N)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-8(5-14)6-15-4-2-3-9(7-15)10(11,12)13/h8-9H,2-4,6-7H2,1H3
InChIKeyNXAPEQSGKWVWBG-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile

2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile (PubChem CID 60648096) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
PubChem CID60648096
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
SMILESCC(C#N)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-8(5-14)6-15-4-2-3-9(7-15)10(11,12)13/h8-9H,2-4,6-7H2,1H3
InChIKeyNXAPEQSGKWVWBG-UHFFFAOYSA-N
XLogP2.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile (CID 60648096) is 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile is CC(C#N)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile?
The InChIKey is NXAPEQSGKWVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-8(5-14)6-15-4-2-3-9(7-15)10(11,12)13/h8-9H,2-4,6-7H2,1H3.
What are the key properties of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile?
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 60648096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).