(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone

C15H20FNO3 — CID 114510033

IUPAC(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(F)c(OC)c2)CCC1O
InChIInChI=1S/C15H20FNO3/c1-3-10-9-17(7-6-13(10)18)15(19)11-4-5-12(16)14(8-11)20-2/h4-5,8,10,13,18H,3,6-7,9H2,1-2H3
InChIKeyDCMKEWRCVGJMGU-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.07
Rot. Bonds3

About (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone

(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 114510033) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID114510033
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(F)c(OC)c2)CCC1O
InChIInChI=1S/C15H20FNO3/c1-3-10-9-17(7-6-13(10)18)15(19)11-4-5-12(16)14(8-11)20-2/h4-5,8,10,13,18H,3,6-7,9H2,1-2H3
InChIKeyDCMKEWRCVGJMGU-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81283284
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 133143377
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 97369376
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone (CID 114510033) is (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone is CCC1CN(C(=O)c2ccc(F)c(OC)c2)CCC1O.
What is the InChIKey of (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is DCMKEWRCVGJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-10-9-17(7-6-13(10)18)15(19)11-4-5-12(16)14(8-11)20-2/h4-5,8,10,13,18H,3,6-7,9H2,1-2H3.
What are the key properties of (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 281.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 114510033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).