3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one

C19H29NO — CID 63482480

IUPAC3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
SMILESCCC1(CC)CCN(CCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H29NO/c1-4-19(5-2)11-14-20(15-12-19)13-10-18(21)17-9-7-6-8-16(17)3/h6-9H,4-5,10-15H2,1-3H3
InChIKeyHLOIPZUTOFUBBL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.47
Rot. Bonds6

About 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one

3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one (PubChem CID 63482480) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
PubChem CID63482480
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
SMILESCCC1(CC)CCN(CCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H29NO/c1-4-19(5-2)11-14-20(15-12-19)13-10-18(21)17-9-7-6-8-16(17)3/h6-9H,4-5,10-15H2,1-3H3
InChIKeyHLOIPZUTOFUBBL-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
4-(4-ethyl-4-methoxypiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 18626324
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
CID 18626405
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
4-(4-butoxy-1-ethylpiperidin-4-yl)-1-(2-methylphenyl)butan-1-one
CID 18626346
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
CID 81474781
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-methylphenyl)propan-1-one
CID 82753538

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one (CID 63482480) is 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one is CCC1(CC)CCN(CCC(=O)c2ccccc2C)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
The InChIKey is HLOIPZUTOFUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-19(5-2)11-14-20(15-12-19)13-10-18(21)17-9-7-6-8-16(17)3/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one?
3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 63482480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).