2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone

C19H29FN2O — CID 56861954

IUPAC2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O/c1-3-21(4-2)15-19(23)22-13-7-8-16(14-22)11-12-17-9-5-6-10-18(17)20/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3
InChIKeyRCEIFEVKZRYMEV-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.34
Rot. Bonds7

About 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone

2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 56861954) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID56861954
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCCC(CCc2ccccc2F)C1
InChIInChI=1S/C19H29FN2O/c1-3-21(4-2)15-19(23)22-13-7-8-16(14-22)11-12-17-9-5-6-10-18(17)20/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3
InChIKeyRCEIFEVKZRYMEV-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 42213904
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 26335077
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone (CID 56861954) is 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone is CCN(CC)CC(=O)N1CCCC(CCc2ccccc2F)C1.
What is the InChIKey of 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is RCEIFEVKZRYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-3-21(4-2)15-19(23)22-13-7-8-16(14-22)11-12-17-9-5-6-10-18(17)20/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone?
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 320.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56861954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).