4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine

C9H14F3N — CID 126663367

IUPAC4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
SMILESC=C(N1CCC(C)CC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7H,2-6H2,1H3
InChIKeyKLASKMZUKMDJTF-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.79
Rot. Bonds1

About 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine

4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine (PubChem CID 126663367) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
PubChem CID126663367
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
SMILESC=C(N1CCC(C)CC1)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7H,2-6H2,1H3
InChIKeyKLASKMZUKMDJTF-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine (CID 126663367) is 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine is C=C(N1CCC(C)CC1)C(F)(F)F.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The InChIKey is KLASKMZUKMDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7-3-5-13(6-4-7)8(2)9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine has a molecular weight of 193.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine is sourced from PubChem (CID 126663367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).