3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride

C14H19ClN2O2 — CID 82021834

IUPAC3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
SMILESCCc1noc2cc(OC3CCNCC3)ccc12.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-13-12-4-3-11(9-14(12)18-16-13)17-10-5-7-15-8-6-10;/h3-4,9-10,15H,2,5-8H2,1H3;1H
InChIKeyBRDWDJDQUIUORO-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.94
Rot. Bonds3

About 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride

3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride (PubChem CID 82021834) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
PubChem CID82021834
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride
SMILESCCc1noc2cc(OC3CCNCC3)ccc12.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-13-12-4-3-11(9-14(12)18-16-13)17-10-5-7-15-8-6-10;/h3-4,9-10,15H,2,5-8H2,1H3;1H
InChIKeyBRDWDJDQUIUORO-UHFFFAOYSA-N
XLogP2.94
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1,2-benzoxazol-6-yl) acetate
CID 15563065
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
3-methyl-6-piperidin-4-yloxy-2H-indazole
CID 84694870
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
3-ethyl-1-phenyl-6-(1-piperidin-4-ylazetidin-3-yl)oxyindazole;hydrochloride
CID 67448082
2-methyl-6-piperidin-4-yloxyquinoline
CID 123255075
2-methyl-6-piperidin-4-yloxychromen-4-one
CID 28815119
3-bromo-1-methyl-6-piperidin-4-yloxyindazole
CID 177142361
3-ethyl-5-piperidin-4-yloxypyridine
CID 71051348
7-piperidin-4-yloxyquinolin-4-amine
CID 175411654

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride (CID 82021834) is 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride is CCc1noc2cc(OC3CCNCC3)ccc12.Cl.
What is the InChIKey of 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride?
The InChIKey is BRDWDJDQUIUORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-2-13-12-4-3-11(9-14(12)18-16-13)17-10-5-7-15-8-6-10;/h3-4,9-10,15H,2,5-8H2,1H3;1H.
What are the key properties of 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride?
3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperidin-4-yloxy-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 82021834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).