1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

C20H21F2NO2 — CID 46028871

IUPAC1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2ccc(F)cc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-9-8-16(19(22)12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2
InChIKeyXMPPYZXDDNPNGQ-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.72
Rot. Bonds5

About 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (PubChem CID 46028871) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
PubChem CID46028871
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2ccc(F)cc2F)C1
InChIInChI=1S/C20H21F2NO2/c21-17-9-8-16(19(22)12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2
InChIKeyXMPPYZXDDNPNGQ-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (CID 46028871) is 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(OCc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The InChIKey is XMPPYZXDDNPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-17-9-8-16(19(22)12-17)14-25-18-7-4-10-23(13-18)20(24)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,18H,4,7,10-11,13-14H2.
What are the key properties of 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone has a molecular weight of 345.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 46028871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).