[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C21H24F2N2O2 — CID 119645123

IUPAC[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-6-18(7-4-16)27-20-8-5-17(22)13-19(20)23/h3-8,13,15,24H,2,9-12,14H2,1H3
InChIKeyAFBQJOIYMCQNCQ-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.22
Rot. Bonds6

About [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645123) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645123
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-6-18(7-4-16)27-20-8-5-17(22)13-19(20)23/h3-8,13,15,24H,2,9-12,14H2,1H3
InChIKeyAFBQJOIYMCQNCQ-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647363
[4-(2,4-difluorophenoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649389
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645123) is [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is AFBQJOIYMCQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-6-18(7-4-16)27-20-8-5-17(22)13-19(20)23/h3-8,13,15,24H,2,9-12,14H2,1H3.
What are the key properties of [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 374.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).