1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride

C13H17ClFNO — CID 16682093

IUPAC1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO.ClH/c14-12-6-4-11(5-7-12)13(16)10-15-8-2-1-3-9-15;/h4-7H,1-3,8-10H2;1H
InChIKeyUMGAJRBKZNAFDD-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride

1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride (PubChem CID 16682093) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride
PubChem CID16682093
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO.ClH/c14-12-6-4-11(5-7-12)13(16)10-15-8-2-1-3-9-15;/h4-7H,1-3,8-10H2;1H
InChIKeyUMGAJRBKZNAFDD-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride (CID 16682093) is 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride is Cl.O=C(CN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride?
The InChIKey is UMGAJRBKZNAFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO.ClH/c14-12-6-4-11(5-7-12)13(16)10-15-8-2-1-3-9-15;/h4-7H,1-3,8-10H2;1H.
What are the key properties of 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride?
1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 16682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).