(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone

C17H22FNO — CID 134055510

IUPAC(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c1-2-14-5-3-4-10-19(14)17(20)16-11-15(16)12-6-8-13(18)9-7-12/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyDIJGAPVDIIJOTD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.72
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone

(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 134055510) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID134055510
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c1-2-14-5-3-4-10-19(14)17(20)16-11-15(16)12-6-8-13(18)9-7-12/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyDIJGAPVDIIJOTD-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427750
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
2-[(2S)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetic acid
CID 124868689
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]methanone
CID 97078911
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
2-[(2S)-1-[(1R,2R)-2-(3-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetamide
CID 124786387
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone (CID 134055510) is (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone is CCC1CCCCN1C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is DIJGAPVDIIJOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-14-5-3-4-10-19(14)17(20)16-11-15(16)12-6-8-13(18)9-7-12/h6-9,14-16H,2-5,10-11H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 275.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 134055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).