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

C16H24N2O — CID 114498414

IUPAC[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C16H24N2O/c1-4-17-15-9-10-18(11-13(15)3)16(19)14-7-5-12(2)6-8-14/h5-8,13,15,17H,4,9-11H2,1-3H3
InChIKeyVKKZUKKBWNEFGA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.46
Rot. Bonds3

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

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 114498414) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID114498414
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C16H24N2O/c1-4-17-15-9-10-18(11-13(15)3)16(19)14-7-5-12(2)6-8-14/h5-8,13,15,17H,4,9-11H2,1-3H3
InChIKeyVKKZUKKBWNEFGA-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 114498542
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
CID 95775135
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809877
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
[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

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone (CID 114498414) is [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone is CCNC1CCN(C(=O)c2ccc(C)cc2)CC1C.
What is the InChIKey of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is VKKZUKKBWNEFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-17-15-9-10-18(11-13(15)3)16(19)14-7-5-12(2)6-8-14/h5-8,13,15,17H,4,9-11H2,1-3H3.
What are the key properties of [4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone?
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.46, 3 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-methylphenyl)methanone is sourced from PubChem (CID 114498414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).