[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C16H23FN2O2 — CID 63979240

IUPAC[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCC(COC)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-15-13(5-4-6-14(15)17)16(20)19-9-7-12(8-10-19)11-21-2/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyCVEXUHQPODKMOF-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.76
Rot. Bonds5

About [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone

[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63979240) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63979240
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCC(COC)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-15-13(5-4-6-14(15)17)16(20)19-9-7-12(8-10-19)11-21-2/h4-6,12,18H,3,7-11H2,1-2H3
InChIKeyCVEXUHQPODKMOF-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63979240) is [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone is CCNc1c(F)cccc1C(=O)N1CCC(COC)CC1.
What is the InChIKey of [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is CVEXUHQPODKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-18-15-13(5-4-6-14(15)17)16(20)19-9-7-12(8-10-19)11-21-2/h4-6,12,18H,3,7-11H2,1-2H3.
What are the key properties of [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 294.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63979240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).