[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C21H24ClFN2O2 — CID 119647363

IUPAC[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-8-20(19(23)13-16)27-18-6-4-17(22)5-7-18/h3-8,13,15,24H,2,9-12,14H2,1H3
InChIKeyITXXUXJYWIQZFK-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.73
Rot. Bonds6

About [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119647363) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119647363
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1
InChIInChI=1S/C21H24ClFN2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-8-20(19(23)13-16)27-18-6-4-17(22)5-7-18/h3-8,13,15,24H,2,9-12,14H2,1H3
InChIKeyITXXUXJYWIQZFK-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645123
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
[4-(4-chlorophenoxy)-3-[(cyclopropylmethylamino)methyl]phenyl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone
CID 68979223

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119647363) is [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ITXXUXJYWIQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-2-24-14-15-9-11-25(12-10-15)21(26)16-3-8-20(19(23)13-16)27-18-6-4-17(22)5-7-18/h3-8,13,15,24H,2,9-12,14H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 390.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119647363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).