2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride

C15H21ClN2O2 — CID 71636674

IUPAC2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
SMILESCl.c1ccc2oc(OCCCC3CCCNC3)nc2c1
InChIInChI=1S/C15H20N2O2.ClH/c1-2-8-14-13(7-1)17-15(19-14)18-10-4-6-12-5-3-9-16-11-12;/h1-2,7-8,12,16H,3-6,9-11H2;1H
InChIKeyAIHCEQAYPWJJHK-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride

2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride (PubChem CID 71636674) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
PubChem CID71636674
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
SMILESCl.c1ccc2oc(OCCCC3CCCNC3)nc2c1
InChIInChI=1S/C15H20N2O2.ClH/c1-2-8-14-13(7-1)17-15(19-14)18-10-4-6-12-5-3-9-16-11-12;/h1-2,7-8,12,16H,3-6,9-11H2;1H
InChIKeyAIHCEQAYPWJJHK-UHFFFAOYSA-N
XLogP3.41
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
2-(2-piperidin-3-ylethoxy)quinoxaline
CID 62360250
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride?
The IUPAC name of 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride (CID 71636674) is 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride.
What is the SMILES notation for 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride?
The canonical SMILES for 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride is Cl.c1ccc2oc(OCCCC3CCCNC3)nc2c1.
What is the InChIKey of 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride?
The InChIKey is AIHCEQAYPWJJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-2-8-14-13(7-1)17-15(19-14)18-10-4-6-12-5-3-9-16-11-12;/h1-2,7-8,12,16H,3-6,9-11H2;1H.
What are the key properties of 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride?
2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride is sourced from PubChem (CID 71636674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).