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

C15H21FN2O2 — CID 62649666

IUPAC[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C15H21FN2O2/c1-2-17-14-12(6-3-7-13(14)16)15(20)18-8-4-5-11(9-18)10-19/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3
InChIKeyTWGWVTWVMKXDDI-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.10
Rot. Bonds4

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

[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62649666) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62649666
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C15H21FN2O2/c1-2-17-14-12(6-3-7-13(14)16)15(20)18-8-4-5-11(9-18)10-19/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3
InChIKeyTWGWVTWVMKXDDI-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[3-fluoro-2-(methylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628632
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 62649666) is [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCNc1c(F)cccc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is TWGWVTWVMKXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-17-14-12(6-3-7-13(14)16)15(20)18-8-4-5-11(9-18)10-19/h3,6-7,11,17,19H,2,4-5,8-10H2,1H3.
What are the key properties of [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 280.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62649666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).