[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

C14H16F3NO2 — CID 63186795

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(20)18-4-1-2-9(8-18)3-5-19/h6-7,9,19H,1-5,8H2
InChIKeyQKCXDLALOOWQSN-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.34
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 63186795) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID63186795
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)N1CCCC(CCO)C1
InChIInChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(20)18-4-1-2-9(8-18)3-5-19/h6-7,9,19H,1-5,8H2
InChIKeyQKCXDLALOOWQSN-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3-(chloromethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393374
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 114801630
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (CID 63186795) is [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is QKCXDLALOOWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-11-6-10(7-12(16)13(11)17)14(20)18-4-1-2-9(8-18)3-5-19/h6-7,9,19H,1-5,8H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 287.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63186795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).