1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine

C12H16F3N — CID 173147720

IUPAC1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H16F3N/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2
InChIKeyKSRDRGLIGKFOEY-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.64
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine

1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine (PubChem CID 173147720) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
PubChem CID173147720
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
SMILESFC(F)(F)C1=CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H16F3N/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2
InChIKeyKSRDRGLIGKFOEY-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-[[6-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperidine
CID 142221826
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
(1E,5Z,7Z)-8-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-1,5,7-trien-1-amine
CID 144251579
1-[(2,6-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 144302524
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
1-[(3E,5Z)-7-fluoro-5,6-dimethylocta-3,5,7-trien-3-yl]piperidine
CID 144983831
1-(Cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine
CID 147016799
1-(Cyclopenten-1-yl)-4-(trifluoromethyl)piperidine
CID 147668407

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine (CID 173147720) is 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine is FC(F)(F)C1=CC=C(N2CCCCC2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The InChIKey is KSRDRGLIGKFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c13-12(14,15)10-4-6-11(7-5-10)16-8-2-1-3-9-16/h4,6H,1-3,5,7-9H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine has a molecular weight of 231.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine is sourced from PubChem (CID 173147720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).