[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone

C15H21FN2O2 — CID 81283284

IUPAC[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(F)c(OC)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-3-17-12-6-8-18(9-7-12)15(19)11-4-5-13(16)14(10-11)20-2/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyPODKCMGUAHWEEL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.05
Rot. Bonds4

About [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone

[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 81283284) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID81283284
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(F)c(OC)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-3-17-12-6-8-18(9-7-12)15(19)11-4-5-13(16)14(10-11)20-2/h4-5,10,12,17H,3,6-9H2,1-2H3
InChIKeyPODKCMGUAHWEEL-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 114510033
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
1-[1-(4-fluoro-3-methoxybenzoyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 154744260

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone (CID 81283284) is [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone is CCNC1CCN(C(=O)c2ccc(F)c(OC)c2)CC1.
What is the InChIKey of [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is PODKCMGUAHWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-17-12-6-8-18(9-7-12)15(19)11-4-5-13(16)14(10-11)20-2/h4-5,10,12,17H,3,6-9H2,1-2H3.
What are the key properties of [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone?
[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 81283284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).