(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride

C12H15ClFNO — CID 19771989

IUPAC(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C12H14FNO.ClH/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-8H2;1H
InChIKeyZJPKSFYBPAPDKL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.43
Rot. Bonds2

About (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride

(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride (PubChem CID 19771989) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride
PubChem CID19771989
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C12H14FNO.ClH/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-8H2;1H
InChIKeyZJPKSFYBPAPDKL-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride (CID 19771989) is (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is ZJPKSFYBPAPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-8H2;1H.
What are the key properties of (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride?
(4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 19771989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).