(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone

C16H22FNO2 — CID 62512361

IUPAC(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-3-9-20-13-5-4-8-18(11-13)16(19)14-10-12(2)6-7-15(14)17/h6-7,10,13H,3-5,8-9,11H2,1-2H3
InChIKeyNKQRWZJMJZAZCT-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.17
Rot. Bonds4

About (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone

(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 62512361) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID62512361
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C16H22FNO2/c1-3-9-20-13-5-4-8-18(11-13)16(19)14-10-12(2)6-7-15(14)17/h6-7,10,13H,3-5,8-9,11H2,1-2H3
InChIKeyNKQRWZJMJZAZCT-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
[3-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186874
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone (CID 62512361) is (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(C)ccc2F)C1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is NKQRWZJMJZAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-9-20-13-5-4-8-18(11-13)16(19)14-10-12(2)6-7-15(14)17/h6-7,10,13H,3-5,8-9,11H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 279.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62512361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).