(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride

C12H14Cl2FNO — CID 90039264

IUPAC(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(F)ccc1Cl)C1CCNCC1
InChIInChI=1S/C12H13ClFNO.ClH/c13-11-2-1-9(14)7-10(11)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKeyQAYQKKZEQMOIMZ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.08
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride

(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 90039264) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID90039264
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(F)ccc1Cl)C1CCNCC1
InChIInChI=1S/C12H13ClFNO.ClH/c13-11-2-1-9(14)7-10(11)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKeyQAYQKKZEQMOIMZ-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride (CID 90039264) is (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1cc(F)ccc1Cl)C1CCNCC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is QAYQKKZEQMOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO.ClH/c13-11-2-1-9(14)7-10(11)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H.
What are the key properties of (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride?
(2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 278.15 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 90039264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).