1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine

C12H15F6N — CID 146779467

IUPAC1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCC2)C1
InChIInChI=1S/C12H15F6N/c13-11(14,15)8-5-9(12(16,17)18)7-19(6-8)10-3-1-2-4-10/h3,8-9H,1-2,4-7H2
InChIKeyRTJOVWBBDWYVFT-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.12
Rot. Bonds1

About 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine

1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 146779467) has the molecular formula C12H15F6N and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID146779467
Molecular FormulaC12H15F6N
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCC2)C1
InChIInChI=1S/C12H15F6N/c13-11(14,15)8-5-9(12(16,17)18)7-19(6-8)10-3-1-2-4-10/h3,8-9H,1-2,4-7H2
InChIKeyRTJOVWBBDWYVFT-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine (CID 146779467) is 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine is FC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCC2)C1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is RTJOVWBBDWYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6N/c13-11(14,15)8-5-9(12(16,17)18)7-19(6-8)10-3-1-2-4-10/h3,8-9H,1-2,4-7H2.
What are the key properties of 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine?
1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 287.25 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 146779467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).