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

C13H17F6N — CID 147016799

IUPAC1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCCC2)C1
InChIInChI=1S/C13H17F6N/c14-12(15,16)9-6-10(13(17,18)19)8-20(7-9)11-4-2-1-3-5-11/h4,9-10H,1-3,5-8H2
InChIKeyAUXWWRKLMJPFGD-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.51
Rot. Bonds1

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

1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 147016799) has the molecular formula C13H17F6N and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID147016799
Molecular FormulaC13H17F6N
Molecular Weight301.27 g/mol
Exact Mass301.13
IUPAC Name1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCCC2)C1
InChIInChI=1S/C13H17F6N/c14-12(15,16)9-6-10(13(17,18)19)8-20(7-9)11-4-2-1-3-5-11/h4,9-10H,1-3,5-8H2
InChIKeyAUXWWRKLMJPFGD-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
CID 14296893
1-[(Z)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
CID 101627242
1-((r,s)-6-Methyl-cyclohex-1-enyl)-piperidine
CID 15514600
1-[6-(Trifluoromethyl)cyclohexen-1-yl]pyrrolidine
CID 85914770
5-(1,1-difluoroethyl)-N,N-dimethylcyclohexen-1-amine
CID 68374648
2-Methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 123456523
1-(Cyclopenten-1-yl)-3,5-bis(trifluoromethyl)piperidine
CID 146779467
1-(Cyclopenten-1-yl)-4-(trifluoromethyl)piperidine
CID 147668407
1-(Cyclohexen-1-yl)-4-(trifluoromethyl)piperidine
CID 148446356
(2Z)-2-ethylidene-1-(2-fluoroethyl)-4,6-dimethylpiperidine
CID 155440590
1-[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 173147720
1-methyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
CID 12288033

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine (CID 147016799) is 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine is FC(F)(F)C1CC(C(F)(F)F)CN(C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is AUXWWRKLMJPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N/c14-12(15,16)9-6-10(13(17,18)19)8-20(7-9)11-4-2-1-3-5-11/h4,9-10H,1-3,5-8H2.
What are the key properties of 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine?
1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 301.27 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 147016799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).