6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile

C17H15F2N3O — CID 154778818

IUPAC6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C17H15F2N3O/c18-15-3-2-14(9-16(15)19)23-13-5-7-22(8-6-13)17-4-1-12(10-20)11-21-17/h1-4,9,11,13H,5-8H2
InChIKeyBAEWZBGOJURREK-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.28
Rot. Bonds3

About 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 154778818) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID154778818
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C17H15F2N3O/c18-15-3-2-14(9-16(15)19)23-13-5-7-22(8-6-13)17-4-1-12(10-20)11-21-17/h1-4,9,11,13H,5-8H2
InChIKeyBAEWZBGOJURREK-UHFFFAOYSA-N
XLogP3.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
[(3R,4R)-1-(5-cyano-2-pyridinyl)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]azanium
CID 91935953
6-[4-[5-[(7-cyclopropyloxy-4-oxo-3H-phthalazin-1-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 169219809
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-[4-[5-[(7-cyclobutyloxy-4-oxo-3H-phthalazin-1-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 169220417

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile (CID 154778818) is 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3ccc(F)c(F)c3)CC2)nc1.
What is the InChIKey of 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BAEWZBGOJURREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-15-3-2-14(9-16(15)19)23-13-5-7-22(8-6-13)17-4-1-12(10-20)11-21-17/h1-4,9,11,13H,5-8H2.
What are the key properties of 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 315.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154778818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).