[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone

C14H19FN2O2 — CID 62649265

IUPAC[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCNc1c(F)cccc1C(=O)N1CCC(OC)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-13-11(4-3-5-12(13)15)14(18)17-8-6-10(19-2)7-9-17/h3-5,10,16H,6-9H2,1-2H3
InChIKeyRKSRHDYIVHUUNP-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.12
Rot. Bonds3

About [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone

[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 62649265) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID62649265
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCNc1c(F)cccc1C(=O)N1CCC(OC)CC1
InChIInChI=1S/C14H19FN2O2/c1-16-13-11(4-3-5-12(13)15)14(18)17-8-6-10(19-2)7-9-17/h3-5,10,16H,6-9H2,1-2H3
InChIKeyRKSRHDYIVHUUNP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660653
[3-fluoro-2-(methylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628632
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240
(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660514
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
CID 171661899
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 81475543
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone (CID 62649265) is [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone is CNc1c(F)cccc1C(=O)N1CCC(OC)CC1.
What is the InChIKey of [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is RKSRHDYIVHUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-13-11(4-3-5-12(13)15)14(18)17-8-6-10(19-2)7-9-17/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone?
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 266.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62649265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).