3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine

C12H20F3N — CID 159243067

IUPAC3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine
SMILESC=C(CC(F)(F)F)N1CCCC(C(C)C)C1
InChIInChI=1S/C12H20F3N/c1-9(2)11-5-4-6-16(8-11)10(3)7-12(13,14)15/h9,11H,3-8H2,1-2H3
InChIKeyHYKFSABVFPIOPI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.82
Rot. Bonds3

About 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine

3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine (PubChem CID 159243067) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine
PubChem CID159243067
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine
SMILESC=C(CC(F)(F)F)N1CCCC(C(C)C)C1
InChIInChI=1S/C12H20F3N/c1-9(2)11-5-4-6-16(8-11)10(3)7-12(13,14)15/h9,11H,3-8H2,1-2H3
InChIKeyHYKFSABVFPIOPI-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
4-Propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
CID 122630884
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099
4-Ethyl-5-fluoro-3,3-dimethyl-1-prop-1-en-2-ylpiperidine
CID 156329317
1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 163829700
(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 166104896
4-Fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 166104947

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine?
The IUPAC name of 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine (CID 159243067) is 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine.
What is the SMILES notation for 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine?
The canonical SMILES for 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine is C=C(CC(F)(F)F)N1CCCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine?
The InChIKey is HYKFSABVFPIOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-9(2)11-5-4-6-16(8-11)10(3)7-12(13,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine?
3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine has a molecular weight of 235.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine is sourced from PubChem (CID 159243067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).