piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid

C8H11F3N2O2 — CID 66657906

IUPACpiperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-4H2;(H,6,7)
InChIKeyWVLHQEVLKSIKCJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.14
Rot. Bonds

About piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid

piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 66657906) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID66657906
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Namepiperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-4H2;(H,6,7)
InChIKeyWVLHQEVLKSIKCJ-UHFFFAOYSA-N
XLogP1.14
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperidinecarbonitrile Trifluoroacetic Acid Salt
CID 67385580
(R)-piperidine-3-carbonitrile trifluoroacetic acid
CID 67390990
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
4-(Difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 68758252
2-(Piperidin-4-yl)acetonitrile 2,2,2-trifluoroacetate
CID 69793431
3-Piperidin-4-ylpropanenitrile;2,2,2-trifluoroacetic acid
CID 69793536
N,N-dimethyl-1-piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 69796798
N,N-dimethyl-2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 69796846
2-Piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 70864621
1-[2-(Azetidin-3-yl)ethyl]piperidine-4,4-dicarbonitrile;2,2,2-trifluoroacetic acid
CID 126573280
1-[(Piperidin-4-ylamino)methyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 130344833
C-(1-methyl-piperidin-4-yl)-methylamine TFA salt
CID 131724002

Frequently Asked Questions

What is the IUPAC name of piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid (CID 66657906) is piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid is N#CC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is WVLHQEVLKSIKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h6,8H,1-4H2;(H,6,7).
What are the key properties of piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid?
piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 224.18 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66657906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).