(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone

C14H18FNO2 — CID 116567687

IUPAC(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H18FNO2/c1-14(5-7-16-8-6-14)13(17)11-9-10(15)3-4-12(11)18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGCYFNKISCPDJJN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.41
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone

(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 116567687) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
PubChem CID116567687
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H18FNO2/c1-14(5-7-16-8-6-14)13(17)11-9-10(15)3-4-12(11)18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyGCYFNKISCPDJJN-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
(3-bromo-2,4-dimethoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 103524264
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 115273119
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921717
(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid
CID 98022250
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 82124582
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567488
(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
CID 131003049

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone (CID 116567687) is (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone is COc1ccc(F)cc1C(=O)C1(C)CCNCC1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is GCYFNKISCPDJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(5-7-16-8-6-14)13(17)11-9-10(15)3-4-12(11)18-2/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116567687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).