(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone

C13H15F2NO2 — CID 114284487

IUPAC(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)c2cc(F)ccc2F)CCNCC1
InChIInChI=1S/C13H15F2NO2/c1-18-13(4-6-16-7-5-13)12(17)10-8-9(14)2-3-11(10)15/h2-3,8,16H,4-7H2,1H3
InChIKeyNKCBZCMBUGPOIF-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.92
Rot. Bonds3

About (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone

(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone (PubChem CID 114284487) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
PubChem CID114284487
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)c2cc(F)ccc2F)CCNCC1
InChIInChI=1S/C13H15F2NO2/c1-18-13(4-6-16-7-5-13)12(17)10-8-9(14)2-3-11(10)15/h2-3,8,16H,4-7H2,1H3
InChIKeyNKCBZCMBUGPOIF-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119673285
(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
CID 131003049
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756490
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119795506
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone
CID 156796071

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone (CID 114284487) is (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)c2cc(F)ccc2F)CCNCC1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is NKCBZCMBUGPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-18-13(4-6-16-7-5-13)12(17)10-8-9(14)2-3-11(10)15/h2-3,8,16H,4-7H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone?
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 255.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 114284487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).