(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone

C15H20FNO3 — CID 42844207

IUPAC(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-19-9-10-20-14-3-2-8-17(11-14)15(18)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyZBIDHTQJFFNLFM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.09
Rot. Bonds5

About (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 42844207) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID42844207
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-19-9-10-20-14-3-2-8-17(11-14)15(18)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKeyZBIDHTQJFFNLFM-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46153756
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate
CID 11978474
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 42844207) is (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is ZBIDHTQJFFNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-19-9-10-20-14-3-2-8-17(11-14)15(18)12-4-6-13(16)7-5-12/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 281.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 42844207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).