2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine

C15H21N3O — CID 82167785

IUPAC2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
SMILESCc1ccc2oc(C3CCN(CCN)CC3)nc2c1
InChIInChI=1S/C15H21N3O/c1-11-2-3-14-13(10-11)17-15(19-14)12-4-7-18(8-5-12)9-6-16/h2-3,10,12H,4-9,16H2,1H3
InChIKeyRRHHMMVFOAZOJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds3

About 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine

2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine (PubChem CID 82167785) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
PubChem CID82167785
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
SMILESCc1ccc2oc(C3CCN(CCN)CC3)nc2c1
InChIInChI=1S/C15H21N3O/c1-11-2-3-14-13(10-11)17-15(19-14)12-4-7-18(8-5-12)9-6-16/h2-3,10,12H,4-9,16H2,1H3
InChIKeyRRHHMMVFOAZOJT-UHFFFAOYSA-N
XLogP2.27
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine (CID 82167785) is 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine is Cc1ccc2oc(C3CCN(CCN)CC3)nc2c1.
What is the InChIKey of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The InChIKey is RRHHMMVFOAZOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-2-3-14-13(10-11)17-15(19-14)12-4-7-18(8-5-12)9-6-16/h2-3,10,12H,4-9,16H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 82167785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).