[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone

C17H26N2O — CID 114498542

IUPAC[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(CC)cc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-14-6-8-15(9-7-14)17(20)19-11-10-16(18-5-2)13(3)12-19/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyUUJMBLKINWEHGB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.71
Rot. Bonds4

About [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone (PubChem CID 114498542) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
PubChem CID114498542
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(CC)cc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-14-6-8-15(9-7-14)17(20)19-11-10-16(18-5-2)13(3)12-19/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyUUJMBLKINWEHGB-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
CID 114498565
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062880
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
[4-(ethylamino)-3-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103115697

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone (CID 114498542) is [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The canonical SMILES for [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone is CCNC1CCN(C(=O)c2ccc(CC)cc2)CC1C.
What is the InChIKey of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone?
The InChIKey is UUJMBLKINWEHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-6-8-15(9-7-14)17(20)19-11-10-16(18-5-2)13(3)12-19/h6-9,13,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone?
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone is sourced from PubChem (CID 114498542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).