1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine

C18H25F6NO — CID 149357025

IUPAC1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine
SMILESCC1(C)C=CC(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C18H25F6NO/c1-15(2)8-6-14(7-9-15)16(17(19,20)21,18(22,23)24)26-13-12-25-10-4-3-5-11-25/h6-8H,3-5,9-13H2,1-2H3
InChIKeyYHDNYFQFVWGKEA-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.26
Rot. Bonds5

About 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine

1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine (PubChem CID 149357025) has the molecular formula C18H25F6NO and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine
PubChem CID149357025
Molecular FormulaC18H25F6NO
Molecular Weight385.39 g/mol
Exact Mass385.18
IUPAC Name1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine
SMILESCC1(C)C=CC(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C18H25F6NO/c1-15(2)8-6-14(7-9-15)16(17(19,20)21,18(22,23)24)26-13-12-25-10-4-3-5-11-25/h6-8H,3-5,9-13H2,1-2H3
InChIKeyYHDNYFQFVWGKEA-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3E)-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hepta-3,5-dien-2-yl]oxyethyl]piperidine
CID 89355258
4,4-dimethyl-1-[2-[(2E,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethyl]piperidine
CID 145108003
1-[2-[1,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 162579431
3-Methyl-1-[2-[4-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773385
1-[2-[4-(3-Methylpentan-3-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773461
1-[2-(4-Tert-butylcyclohexa-2,4-dien-1-yl)oxyethyl]-3,5-dimethylpiperidine
CID 141773522
1-[2-[4-(2-Methylbutan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773607
3,5-Dimethyl-1-[2-[4-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-yl]oxyethyl]piperidine
CID 141773376

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine (CID 149357025) is 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine is CC1(C)C=CC(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)=CC1.
What is the InChIKey of 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine?
The InChIKey is YHDNYFQFVWGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F6NO/c1-15(2)8-6-14(7-9-15)16(17(19,20)21,18(22,23)24)26-13-12-25-10-4-3-5-11-25/h6-8H,3-5,9-13H2,1-2H3.
What are the key properties of 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine?
1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine has a molecular weight of 385.39 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 149357025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).