2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

C18H17F3N4O — CID 171704830

IUPAC2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(COc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)16-9-15(5-7-23-16)26-12-13-3-2-8-25(11-13)17-14(10-22)4-1-6-24-17/h1,4-7,9,13H,2-3,8,11-12H2
InChIKeyAUIDKDSKWFBNFW-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.66
Rot. Bonds4

About 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171704830) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID171704830
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(COc2ccnc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)16-9-15(5-7-23-16)26-12-13-3-2-8-25(11-13)17-14(10-22)4-1-6-24-17/h1,4-7,9,13H,2-3,8,11-12H2
InChIKeyAUIDKDSKWFBNFW-UHFFFAOYSA-N
XLogP3.66
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 171704830) is 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC(COc2ccnc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AUIDKDSKWFBNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)16-9-15(5-7-23-16)26-12-13-3-2-8-25(11-13)17-14(10-22)4-1-6-24-17/h1,4-7,9,13H,2-3,8,11-12H2.
What are the key properties of 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 362.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171704830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).