[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

C18H24FNO — CID 50978916

IUPAC[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CC1
InChIInChI=1S/C18H24FNO/c1-18(10-11-18)17(21)20-12-4-5-14(13-20)8-9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyLNDMZEZYBXOTMB-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.80
Rot. Bonds4

About [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 50978916) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID50978916
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CC1
InChIInChI=1S/C18H24FNO/c1-18(10-11-18)17(21)20-12-4-5-14(13-20)8-9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyLNDMZEZYBXOTMB-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 56861954
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522
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

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 50978916) is [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCCC(CCc3ccccc3F)C2)CC1.
What is the InChIKey of [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is LNDMZEZYBXOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-18(10-11-18)17(21)20-12-4-5-14(13-20)8-9-15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-13H2,1H3.
What are the key properties of [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 289.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 50978916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).