4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride

C16H19ClFNO — CID 67594856

IUPAC4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride
SMILESCl.Fc1c(COC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H18FNO.ClH/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16;/h1-6,14,18H,7-11H2;1H
InChIKeyYYZZXWWFEFTMML-UHFFFAOYSA-N
MW295.78 g/mol
LogP3.67
Rot. Bonds3

About 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride

4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride (PubChem CID 67594856) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride
PubChem CID67594856
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride
SMILESCl.Fc1c(COC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H18FNO.ClH/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16;/h1-6,14,18H,7-11H2;1H
InChIKeyYYZZXWWFEFTMML-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride?
The IUPAC name of 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride (CID 67594856) is 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride is Cl.Fc1c(COC2CCNCC2)ccc2ccccc12.
What is the InChIKey of 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride?
The InChIKey is YYZZXWWFEFTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO.ClH/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16;/h1-6,14,18H,7-11H2;1H.
What are the key properties of 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride?
4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride has a molecular weight of 295.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluoronaphthalen-2-yl)methoxy]piperidine;hydrochloride is sourced from PubChem (CID 67594856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).