(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C15H21FN2O2 — CID 103804906

IUPAC(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-17-9-11-4-3-7-18(10-11)15(19)13-6-5-12(20-2)8-14(13)16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyLQDNEWGXQFZEJJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.91
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 103804906) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID103804906
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(OC)cc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-17-9-11-4-3-7-18(10-11)15(19)13-6-5-12(20-2)8-14(13)16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyLQDNEWGXQFZEJJ-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 119395232

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 103804906) is (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccc(OC)cc2F)C1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is LQDNEWGXQFZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-9-11-4-3-7-18(10-11)15(19)13-6-5-12(20-2)8-14(13)16/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 280.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103804906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).