4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile

C10H15F3N2O — CID 107160799

IUPAC4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-7H2,1H3
InChIKeyTUNWVOKEMRLTEH-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile

4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 107160799) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
PubChem CID107160799
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-7H2,1H3
InChIKeyTUNWVOKEMRLTEH-UHFFFAOYSA-N
XLogP2.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
CID 10384538
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
CID 139932612
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile (CID 107160799) is 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile is CC1(C#N)CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is TUNWVOKEMRLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-7H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile?
4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 236.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 107160799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).