[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone

C19H19F2NO3 — CID 84561758

IUPAC[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H19F2NO3/c1-24-15-4-2-3-13(11-15)19(23)22-9-7-14(8-10-22)25-16-5-6-17(20)18(21)12-16/h2-6,11-12,14H,7-10H2,1H3
InChIKeyNRTQRBTYTGIQDE-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.66
Rot. Bonds4

About [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 84561758) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID84561758
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H19F2NO3/c1-24-15-4-2-3-13(11-15)19(23)22-9-7-14(8-10-22)25-16-5-6-17(20)18(21)12-16/h2-6,11-12,14H,7-10H2,1H3
InChIKeyNRTQRBTYTGIQDE-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 84563464
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 84561758) is [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is NRTQRBTYTGIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-24-15-4-2-3-13(11-15)19(23)22-9-7-14(8-10-22)25-16-5-6-17(20)18(21)12-16/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 347.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 84561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).