4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine

C15H21F4N — CID 152570119

IUPAC4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine
SMILESCCCN1CCC(C2=CCC(F)(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C15H21F4N/c1-2-9-20-10-5-13(6-11-20)12-3-7-14(16,8-4-12)15(17,18)19/h3-4,7,13H,2,5-6,8-11H2,1H3
InChIKeyYRHPATZKOBVRDW-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.27
Rot. Bonds3

About 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine

4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine (PubChem CID 152570119) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine
PubChem CID152570119
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine
SMILESCCCN1CCC(C2=CCC(F)(C(F)(F)F)C=C2)CC1
InChIInChI=1S/C15H21F4N/c1-2-9-20-10-5-13(6-11-20)12-3-7-14(16,8-4-12)15(17,18)19/h3-4,7,13H,2,5-6,8-11H2,1H3
InChIKeyYRHPATZKOBVRDW-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine?
The IUPAC name of 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine (CID 152570119) is 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine.
What is the SMILES notation for 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine?
The canonical SMILES for 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine is CCCN1CCC(C2=CCC(F)(C(F)(F)F)C=C2)CC1.
What is the InChIKey of 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine?
The InChIKey is YRHPATZKOBVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-2-9-20-10-5-13(6-11-20)12-3-7-14(16,8-4-12)15(17,18)19/h3-4,7,13H,2,5-6,8-11H2,1H3.
What are the key properties of 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine?
4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine has a molecular weight of 291.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1-propylpiperidine is sourced from PubChem (CID 152570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).