(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

C13H14F3NO2 — CID 103644623

IUPAC(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCOC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H14F3NO2/c1-19-9-3-2-4-17(7-9)13(18)8-5-10(14)12(16)11(15)6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyYYWCPBBXEZEEIU-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.35
Rot. Bonds2

About (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 103644623) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID103644623
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCOC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H14F3NO2/c1-19-9-3-2-4-17(7-9)13(18)8-5-10(14)12(16)11(15)6-8/h5-6,9H,2-4,7H2,1H3
InChIKeyYYWCPBBXEZEEIU-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
CID 102970898
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
[3-(chloromethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393374
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (CID 103644623) is (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is COC1CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is YYWCPBBXEZEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-19-9-3-2-4-17(7-9)13(18)8-5-10(14)12(16)11(15)6-8/h5-6,9H,2-4,7H2,1H3.
What are the key properties of (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 273.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103644623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).