1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one

C19H18ClF2NO3 — CID 118904251

IUPAC1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one
SMILESCOc1ccc(COC2CN(c3c(F)cc(Cl)cc3F)CCC2=O)cc1
InChIInChI=1S/C19H18ClF2NO3/c1-25-14-4-2-12(3-5-14)11-26-18-10-23(7-6-17(18)24)19-15(21)8-13(20)9-16(19)22/h2-5,8-9,18H,6-7,10-11H2,1H3
InChIKeySEAWIQORHVGNPX-UHFFFAOYSA-N
MW381.81 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one

1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one (PubChem CID 118904251) has the molecular formula C19H18ClF2NO3 and a molecular weight of 381.81 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one
PubChem CID118904251
Molecular FormulaC19H18ClF2NO3
Molecular Weight381.81 g/mol
Exact Mass381.09
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one
SMILESCOc1ccc(COC2CN(c3c(F)cc(Cl)cc3F)CCC2=O)cc1
InChIInChI=1S/C19H18ClF2NO3/c1-25-14-4-2-12(3-5-14)11-26-18-10-23(7-6-17(18)24)19-15(21)8-13(20)9-16(19)22/h2-5,8-9,18H,6-7,10-11H2,1H3
InChIKeySEAWIQORHVGNPX-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one (CID 118904251) is 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one is COc1ccc(COC2CN(c3c(F)cc(Cl)cc3F)CCC2=O)cc1.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one?
The InChIKey is SEAWIQORHVGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO3/c1-25-14-4-2-12(3-5-14)11-26-18-10-23(7-6-17(18)24)19-15(21)8-13(20)9-16(19)22/h2-5,8-9,18H,6-7,10-11H2,1H3.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one?
1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one has a molecular weight of 381.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-3-[(4-methoxyphenyl)methoxy]piperidin-4-one is sourced from PubChem (CID 118904251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).