1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride

C12H15Cl2N3O — CID 90484315

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C12H14ClN3O.ClH/c13-8-3-4-11-10(6-8)15-12(17-11)16-5-1-2-9(14)7-16;/h3-4,6,9H,1-2,5,7,14H2;1H
InChIKeyFWXMHYZRIGDSMY-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.83
Rot. Bonds1

About 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride

1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride (PubChem CID 90484315) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
PubChem CID90484315
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C12H14ClN3O.ClH/c13-8-3-4-11-10(6-8)15-12(17-11)16-5-1-2-9(14)7-16;/h3-4,6,9H,1-2,5,7,14H2;1H
InChIKeyFWXMHYZRIGDSMY-UHFFFAOYSA-N
XLogP2.83
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride (CID 90484315) is 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride is Cl.NC1CCCN(c2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride?
The InChIKey is FWXMHYZRIGDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O.ClH/c13-8-3-4-11-10(6-8)15-12(17-11)16-5-1-2-9(14)7-16;/h3-4,6,9H,1-2,5,7,14H2;1H.
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride?
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride has a molecular weight of 288.18 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 90484315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).