(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C14H19FN2O2 — CID 119493446

IUPAC(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C14H19FN2O2/c1-16-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyHQIDVVCYQSVHCS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.66
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119493446) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119493446
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C14H19FN2O2/c1-16-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyHQIDVVCYQSVHCS-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(2-fluoro-6-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 65432499
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119493446) is (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(F)ccc2OC)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is HQIDVVCYQSVHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-11-4-3-7-17(9-11)14(18)12-8-10(15)5-6-13(12)19-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 266.32 g/mol, XLogP of 1.66, 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)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119493446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).