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

C15H20FNO2 — CID 110418071

IUPAC[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-11-12-4-3-9-17(10-12)15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyDHEPKJWNKASKTF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.71
Rot. Bonds4

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

[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 110418071) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID110418071
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO2/c1-2-19-11-12-4-3-9-17(10-12)15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3
InChIKeyDHEPKJWNKASKTF-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71979424
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
3-[3-(ethoxymethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 110610273
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
2-[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110617196
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 110418071) is [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is CCOCC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is DHEPKJWNKASKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-11-12-4-3-9-17(10-12)15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 110418071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).