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

C13H15ClFNO2 — CID 71683186

IUPAC(2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1Cl)N1CCCC(CO)C1
InChIInChI=1S/C13H15ClFNO2/c14-12-10(4-1-5-11(12)15)13(18)16-6-2-3-9(7-16)8-17/h1,4-5,9,17H,2-3,6-8H2
InChIKeyKZFVROABZUAUJJ-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.32
Rot. Bonds2

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

(2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 71683186) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID71683186
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1Cl)N1CCCC(CO)C1
InChIInChI=1S/C13H15ClFNO2/c14-12-10(4-1-5-11(12)15)13(18)16-6-2-3-9(7-16)8-17/h1,4-5,9,17H,2-3,6-8H2
InChIKeyKZFVROABZUAUJJ-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 71683186) is (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1Cl)N1CCCC(CO)C1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KZFVROABZUAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-12-10(4-1-5-11(12)15)13(18)16-6-2-3-9(7-16)8-17/h1,4-5,9,17H,2-3,6-8H2.
What are the key properties of (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 271.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71683186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).