[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

C17H25FN2O — CID 114506842

IUPAC[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(F)cc2C)CC1CC
InChIInChI=1S/C17H25FN2O/c1-4-13-11-20(9-8-16(13)19-5-2)17(21)15-7-6-14(18)10-12(15)3/h6-7,10,13,16,19H,4-5,8-9,11H2,1-3H3
InChIKeyROMBJHKLWMQSHP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.98
Rot. Bonds4

About [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (PubChem CID 114506842) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
PubChem CID114506842
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(F)cc2C)CC1CC
InChIInChI=1S/C17H25FN2O/c1-4-13-11-20(9-8-16(13)19-5-2)17(21)15-7-6-14(18)10-12(15)3/h6-7,10,13,16,19H,4-5,8-9,11H2,1-3H3
InChIKeyROMBJHKLWMQSHP-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809881
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (CID 114506842) is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is CCNC1CCN(C(=O)c2ccc(F)cc2C)CC1CC.
What is the InChIKey of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is ROMBJHKLWMQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-13-11-20(9-8-16(13)19-5-2)17(21)15-7-6-14(18)10-12(15)3/h6-7,10,13,16,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 292.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 114506842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).