1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C17H22FNO2 — CID 18703851

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCC(CO)CC1
InChIInChI=1S/C17H22FNO2/c18-15-4-2-1-3-14(15)16(17(21)13-5-6-13)19-9-7-12(11-20)8-10-19/h1-4,12-13,16,20H,5-11H2
InChIKeyMASKPQQOQLLQEF-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 18703851) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID18703851
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCC(CO)CC1
InChIInChI=1S/C17H22FNO2/c18-15-4-2-1-3-14(15)16(17(21)13-5-6-13)19-9-7-12(11-20)8-10-19/h1-4,12-13,16,20H,5-11H2
InChIKeyMASKPQQOQLLQEF-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 18703851) is 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(C1CC1)C(c1ccccc1F)N1CCC(CO)CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is MASKPQQOQLLQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-4-2-1-3-14(15)16(17(21)13-5-6-13)19-9-7-12(11-20)8-10-19/h1-4,12-13,16,20H,5-11H2.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 291.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 18703851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).