(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C16H22FNO2 — CID 53150861

IUPAC(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-12-3-4-14(11-15(12)17)16(19)18-8-5-13(6-9-18)7-10-20-2/h3-4,11,13H,5-10H2,1-2H3
InChIKeyNEHYCKAFBXTVGM-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.02
Rot. Bonds4

About (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150861) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150861
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H22FNO2/c1-12-3-4-14(11-15(12)17)16(19)18-8-5-13(6-9-18)7-10-20-2/h3-4,11,13H,5-10H2,1-2H3
InChIKeyNEHYCKAFBXTVGM-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150861) is (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2ccc(C)c(F)c2)CC1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is NEHYCKAFBXTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12-3-4-14(11-15(12)17)16(19)18-8-5-13(6-9-18)7-10-20-2/h3-4,11,13H,5-10H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 279.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).