2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine

C16H23N3O — CID 82167807

IUPAC2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
SMILESCc1cc(C)c2oc(C3CCN(CCN)CC3)nc2c1
InChIInChI=1S/C16H23N3O/c1-11-9-12(2)15-14(10-11)18-16(20-15)13-3-6-19(7-4-13)8-5-17/h9-10,13H,3-8,17H2,1-2H3
InChIKeyFBKPFFSBSBFHGW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.58
Rot. Bonds3

About 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine

2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine (PubChem CID 82167807) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
PubChem CID82167807
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
SMILESCc1cc(C)c2oc(C3CCN(CCN)CC3)nc2c1
InChIInChI=1S/C16H23N3O/c1-11-9-12(2)15-14(10-11)18-16(20-15)13-3-6-19(7-4-13)8-5-17/h9-10,13H,3-8,17H2,1-2H3
InChIKeyFBKPFFSBSBFHGW-UHFFFAOYSA-N
XLogP2.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine (CID 82167807) is 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine is Cc1cc(C)c2oc(C3CCN(CCN)CC3)nc2c1.
What is the InChIKey of 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
The InChIKey is FBKPFFSBSBFHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-9-12(2)15-14(10-11)18-16(20-15)13-3-6-19(7-4-13)8-5-17/h9-10,13H,3-8,17H2,1-2H3.
What are the key properties of 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine?
2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 82167807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).