2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine

C13H22F3NO — CID 5231219

IUPAC2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine
SMILESCOC1CCCC(C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C13H22F3NO/c1-18-11-4-2-3-9(7-11)12-6-5-10(8-17-12)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyUCFYRCPZCFACQG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds2

About 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine

2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine (PubChem CID 5231219) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine
PubChem CID5231219
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine
SMILESCOC1CCCC(C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C13H22F3NO/c1-18-11-4-2-3-9(7-11)12-6-5-10(8-17-12)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyUCFYRCPZCFACQG-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine (CID 5231219) is 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine is COC1CCCC(C2CCC(C(F)(F)F)CN2)C1.
What is the InChIKey of 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine?
The InChIKey is UCFYRCPZCFACQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-18-11-4-2-3-9(7-11)12-6-5-10(8-17-12)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine?
2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclohexyl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 5231219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).