(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

C17H24FNO — CID 63213419

IUPAC(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C17H24FNO/c1-4-17(5-2)8-10-19(11-9-17)16(20)14-6-7-15(18)13(3)12-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyWHVUPTFGNFLTMU-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.18
Rot. Bonds3

About (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 63213419) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID63213419
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C17H24FNO/c1-4-17(5-2)8-10-19(11-9-17)16(20)14-6-7-15(18)13(3)12-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyWHVUPTFGNFLTMU-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
3-fluoro-1-(4-fluoro-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119257992
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(4-fluoro-3-methylphenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110814912
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110808179
methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
CID 63213140

Frequently Asked Questions

What is the IUPAC name of (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (CID 63213419) is (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is CCC1(CC)CCN(C(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is WHVUPTFGNFLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-17(5-2)8-10-19(11-9-17)16(20)14-6-7-15(18)13(3)12-14/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 277.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 63213419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).