4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride

C11H21ClFNO — CID 163385711

IUPAC4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride
SMILESCl.FC1(CC2CCOCC2)CCNCC1
InChIInChI=1S/C11H20FNO.ClH/c12-11(3-5-13-6-4-11)9-10-1-7-14-8-2-10;/h10,13H,1-9H2;1H
InChIKeyLAMCIHHUIZMDAA-UHFFFAOYSA-N
MW237.75 g/mol
LogP2.32
Rot. Bonds2

About 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride

4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride (PubChem CID 163385711) has the molecular formula C11H21ClFNO and a molecular weight of 237.75 g/mol. Its IUPAC name is 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride
PubChem CID163385711
Molecular FormulaC11H21ClFNO
Molecular Weight237.75 g/mol
Exact Mass237.13
IUPAC Name4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride
SMILESCl.FC1(CC2CCOCC2)CCNCC1
InChIInChI=1S/C11H20FNO.ClH/c12-11(3-5-13-6-4-11)9-10-1-7-14-8-2-10;/h10,13H,1-9H2;1H
InChIKeyLAMCIHHUIZMDAA-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride (CID 163385711) is 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride is Cl.FC1(CC2CCOCC2)CCNCC1.
What is the InChIKey of 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride?
The InChIKey is LAMCIHHUIZMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO.ClH/c12-11(3-5-13-6-4-11)9-10-1-7-14-8-2-10;/h10,13H,1-9H2;1H.
What are the key properties of 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride?
4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride has a molecular weight of 237.75 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(oxan-4-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 163385711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).