[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone

C19H25F2NO2 — CID 45231273

IUPAC[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H25F2NO2/c20-17-6-5-14(12-18(17)21)3-4-15-2-1-9-22(13-15)19(23)16-7-10-24-11-8-16/h5-6,12,15-16H,1-4,7-11,13H2
InChIKeyZFILOXDDCWTFTA-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.56
Rot. Bonds4

About [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone

[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 45231273) has the molecular formula C19H25F2NO2 and a molecular weight of 337.41 g/mol. Its IUPAC name is [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID45231273
Molecular FormulaC19H25F2NO2
Molecular Weight337.41 g/mol
Exact Mass337.19
IUPAC Name[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H25F2NO2/c20-17-6-5-14(12-18(17)21)3-4-15-2-1-9-22(13-15)19(23)16-7-10-24-11-8-16/h5-6,12,15-16H,1-4,7-11,13H2
InChIKeyZFILOXDDCWTFTA-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 45231273) is [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCCC(CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is ZFILOXDDCWTFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO2/c20-17-6-5-14(12-18(17)21)3-4-15-2-1-9-22(13-15)19(23)16-7-10-24-11-8-16/h5-6,12,15-16H,1-4,7-11,13H2.
What are the key properties of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone?
[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 337.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 45231273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).