1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride

C21H28ClFN2O2 — CID 119646062

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.Cl
InChIInChI=1S/C21H27FN2O2.ClH/c1-2-23-15-16-11-13-24(14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H
InChIKeyHYZIAKPXRRGSFJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.29
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride (PubChem CID 119646062) has the molecular formula C21H28ClFN2O2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
PubChem CID119646062
Molecular FormulaC21H28ClFN2O2
Molecular Weight394.92 g/mol
Exact Mass394.18
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
SMILESCCNCC1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.Cl
InChIInChI=1S/C21H27FN2O2.ClH/c1-2-23-15-16-11-13-24(14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H
InChIKeyHYZIAKPXRRGSFJ-UHFFFAOYSA-N
XLogP4.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
1-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354766
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one
CID 9490010
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27445409
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
3-(2,5-difluorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647221
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647509
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
2-[4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride (CID 119646062) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride is CCNCC1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1.Cl.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride?
The InChIKey is HYZIAKPXRRGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2.ClH/c1-2-23-15-16-11-13-24(14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride?
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride has a molecular weight of 394.92 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).