1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine

C21H28F3NO — CID 21334073

IUPAC1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCCCC2)CC1
InChIInChI=1S/C21H28F3NO/c1-16(17-6-8-19(9-7-17)26-21(22,23)24)18-10-14-25(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,1,3-5,10-15H2,2H3
InChIKeyGKGOBLJXSHXEAH-UHFFFAOYSA-N
MW367.46 g/mol
LogP6.03
Rot. Bonds4

About 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine

1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine (PubChem CID 21334073) has the molecular formula C21H28F3NO and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine
PubChem CID21334073
Molecular FormulaC21H28F3NO
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCCCC2)CC1
InChIInChI=1S/C21H28F3NO/c1-16(17-6-8-19(9-7-17)26-21(22,23)24)18-10-14-25(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,1,3-5,10-15H2,2H3
InChIKeyGKGOBLJXSHXEAH-UHFFFAOYSA-N
XLogP6.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 656768
Amotriphene
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1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
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4-[2-(4-Methoxyphenyl)ethyl]piperidine hydrochloride
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CID 9957437
(S)-1-Propyl-3-[3-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidine
CID 10380129
Skf-10810
CID 30996
1-(1-(3-Methoxyphenyl)cyclohexyl)piperidine
CID 11778080
1-[4-(6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11717302

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine?
The IUPAC name of 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine (CID 21334073) is 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine?
The canonical SMILES for 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine is C=C(c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCCCC2)CC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine?
The InChIKey is GKGOBLJXSHXEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO/c1-16(17-6-8-19(9-7-17)26-21(22,23)24)18-10-14-25(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,1,3-5,10-15H2,2H3.
What are the key properties of 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine?
1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine has a molecular weight of 367.46 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-4-[1-[4-(trifluoromethoxy)phenyl]ethenyl]piperidine is sourced from PubChem (CID 21334073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).