oxan-4-yl(piperidin-4-yl)methanol;hydrochloride

C11H22ClNO2 — CID 119031728

IUPACoxan-4-yl(piperidin-4-yl)methanol;hydrochloride
SMILESCl.OC(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H21NO2.ClH/c13-11(9-1-5-12-6-2-9)10-3-7-14-8-4-10;/h9-13H,1-8H2;1H
InChIKeyHEINCBAEZYJBLV-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.20
Rot. Bonds2

About oxan-4-yl(piperidin-4-yl)methanol;hydrochloride

oxan-4-yl(piperidin-4-yl)methanol;hydrochloride (PubChem CID 119031728) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is oxan-4-yl(piperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Nameoxan-4-yl(piperidin-4-yl)methanol;hydrochloride
PubChem CID119031728
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameoxan-4-yl(piperidin-4-yl)methanol;hydrochloride
SMILESCl.OC(C1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H21NO2.ClH/c13-11(9-1-5-12-6-2-9)10-3-7-14-8-4-10;/h9-13H,1-8H2;1H
InChIKeyHEINCBAEZYJBLV-UHFFFAOYSA-N
XLogP1.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(piperidin-4-yl)methanol;hydrochloride?
The IUPAC name of oxan-4-yl(piperidin-4-yl)methanol;hydrochloride (CID 119031728) is oxan-4-yl(piperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for oxan-4-yl(piperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for oxan-4-yl(piperidin-4-yl)methanol;hydrochloride is Cl.OC(C1CCNCC1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(piperidin-4-yl)methanol;hydrochloride?
The InChIKey is HEINCBAEZYJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c13-11(9-1-5-12-6-2-9)10-3-7-14-8-4-10;/h9-13H,1-8H2;1H.
What are the key properties of oxan-4-yl(piperidin-4-yl)methanol;hydrochloride?
oxan-4-yl(piperidin-4-yl)methanol;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(piperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 119031728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).