[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone

C15H17F4NO2 — CID 126822054

IUPAC[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
SMILESCC(CO)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C15H17F4NO2/c1-8(7-21)9-2-4-20(5-3-9)15(22)10-6-11(16)13(18)14(19)12(10)17/h6,8-9,21H,2-5,7H2,1H3
InChIKeyZCXLYOLTJFOZJQ-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.72
Rot. Bonds3

About [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone

[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone (PubChem CID 126822054) has the molecular formula C15H17F4NO2 and a molecular weight of 319.30 g/mol. Its IUPAC name is [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
PubChem CID126822054
Molecular FormulaC15H17F4NO2
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
SMILESCC(CO)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C15H17F4NO2/c1-8(7-21)9-2-4-20(5-3-9)15(22)10-6-11(16)13(18)14(19)12(10)17/h6,8-9,21H,2-5,7H2,1H3
InChIKeyZCXLYOLTJFOZJQ-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The IUPAC name of [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone (CID 126822054) is [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone.
What is the SMILES notation for [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The canonical SMILES for [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone is CC(CO)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1.
What is the InChIKey of [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
The InChIKey is ZCXLYOLTJFOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO2/c1-8(7-21)9-2-4-20(5-3-9)15(22)10-6-11(16)13(18)14(19)12(10)17/h6,8-9,21H,2-5,7H2,1H3.
What are the key properties of [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone?
[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone has a molecular weight of 319.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxypropan-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone is sourced from PubChem (CID 126822054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).