4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 62349150

IUPAC4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCC2CCCCN2)cc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-10(13)8-18)20-9-11-3-1-2-6-19-11/h4-5,7,11,19H,1-3,6,9H2
InChIKeyFTYGRQXKQWDLKA-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.10
Rot. Bonds3

About 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile

4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 62349150) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID62349150
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCC2CCCCN2)cc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-10(13)8-18)20-9-11-3-1-2-6-19-11/h4-5,7,11,19H,1-3,6,9H2
InChIKeyFTYGRQXKQWDLKA-UHFFFAOYSA-N
XLogP3.10
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
2-[[4-nitro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 62348337
2-nitro-5-(piperidin-2-ylmethoxy)benzonitrile
CID 115500682
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
CID 62347502
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 114469202
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile (CID 62349150) is 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCC2CCCCN2)cc1C(F)(F)F.
What is the InChIKey of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is FTYGRQXKQWDLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)13-7-12(5-4-10(13)8-18)20-9-11-3-1-2-6-19-11/h4-5,7,11,19H,1-3,6,9H2.
What are the key properties of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 62349150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).