3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride

C15H19ClN2O — CID 13076451

IUPAC3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
SMILESC=CCN1CCC(c2noc3ccccc23)CC1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-2-9-17-10-7-12(8-11-17)15-13-5-3-4-6-14(13)18-16-15;/h2-6,12H,1,7-11H2;1H
InChIKeyXJLHPZCWMVWAQR-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.62
Rot. Bonds3

About 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride

3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride (PubChem CID 13076451) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
PubChem CID13076451
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
SMILESC=CCN1CCC(c2noc3ccccc23)CC1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-2-9-17-10-7-12(8-11-17)15-13-5-3-4-6-14(13)18-16-15;/h2-6,12H,1,7-11H2;1H
InChIKeyXJLHPZCWMVWAQR-UHFFFAOYSA-N
XLogP3.62
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzothiazole
CID 70353407
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(4-fluorophenyl)but-2-en-1-one
CID 70468999
3-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]pentane-2,4-dione
CID 20707055
(E)-but-2-enedioic acid;3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 174292430
3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 142644427
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
3-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N-ethyl-N-prop-1-en-2-ylsulfanylpropan-1-amine
CID 167189702
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
CID 13078339
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
CID 170960956

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride (CID 13076451) is 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride is C=CCN1CCC(c2noc3ccccc23)CC1.Cl.
What is the InChIKey of 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride?
The InChIKey is XJLHPZCWMVWAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-2-9-17-10-7-12(8-11-17)15-13-5-3-4-6-14(13)18-16-15;/h2-6,12H,1,7-11H2;1H.
What are the key properties of 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride?
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 13076451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).