4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride

C24H27ClFNO — CID 45262241

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26FNO.ClH/c25-24-9-6-19(7-10-24)17-27-18-20-11-13-26(14-12-20)16-21-5-8-22-3-1-2-4-23(22)15-21;/h1-10,15,20H,11-14,16-18H2;1H
InChIKeyKBVXLYLTTPMKBJ-UHFFFAOYSA-N
MW399.94 g/mol
LogP5.83
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride

4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride (PubChem CID 45262241) has the molecular formula C24H27ClFNO and a molecular weight of 399.94 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride
PubChem CID45262241
Molecular FormulaC24H27ClFNO
Molecular Weight399.94 g/mol
Exact Mass399.18
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26FNO.ClH/c25-24-9-6-19(7-10-24)17-27-18-20-11-13-26(14-12-20)16-21-5-8-22-3-1-2-4-23(22)15-21;/h1-10,15,20H,11-14,16-18H2;1H
InChIKeyKBVXLYLTTPMKBJ-UHFFFAOYSA-N
XLogP5.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride (CID 45262241) is 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride is Cl.Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride?
The InChIKey is KBVXLYLTTPMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO.ClH/c25-24-9-6-19(7-10-24)17-27-18-20-11-13-26(14-12-20)16-21-5-8-22-3-1-2-4-23(22)15-21;/h1-10,15,20H,11-14,16-18H2;1H.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride?
4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-(naphthalen-2-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 45262241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).