(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride

C9H15ClN2O2 — CID 138046456

IUPAC(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride
SMILESCl.OCc1cc(C2CCNCC2)no1
InChIInChI=1S/C9H14N2O2.ClH/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7;/h5,7,10,12H,1-4,6H2;1H
InChIKeyDAJGBRTYQGUVCJ-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.06
Rot. Bonds2

About (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride

(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride (PubChem CID 138046456) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride
PubChem CID138046456
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride
SMILESCl.OCc1cc(C2CCNCC2)no1
InChIInChI=1S/C9H14N2O2.ClH/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7;/h5,7,10,12H,1-4,6H2;1H
InChIKeyDAJGBRTYQGUVCJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride?
The IUPAC name of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride (CID 138046456) is (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride.
What is the SMILES notation for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride?
The canonical SMILES for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride is Cl.OCc1cc(C2CCNCC2)no1.
What is the InChIKey of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride?
The InChIKey is DAJGBRTYQGUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c12-6-8-5-9(11-13-8)7-1-3-10-4-2-7;/h5,7,10,12H,1-4,6H2;1H.
What are the key properties of (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride?
(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-yl-1,2-oxazol-5-yl)methanol;hydrochloride is sourced from PubChem (CID 138046456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).