(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C16H22FNO2 — CID 115299098

IUPAC(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C16H22FNO2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(17)5-6-14(13)19/h5-6,11,19H,3-4,7-10H2,1-2H3
InChIKeyOTPFOIYBGNCWGV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.57
Rot. Bonds3

About (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299098) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299098
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C16H22FNO2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(17)5-6-14(13)19/h5-6,11,19H,3-4,7-10H2,1-2H3
InChIKeyOTPFOIYBGNCWGV-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
CID 115298698
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313

Frequently Asked Questions

What is the IUPAC name of (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299098) is (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is CCC1(CC)CCN(C(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is OTPFOIYBGNCWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-16(4-2)7-9-18(10-8-16)15(20)13-11-12(17)5-6-14(13)19/h5-6,11,19H,3-4,7-10H2,1-2H3.
What are the key properties of (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 279.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).