3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine

C13H17N3O — CID 84694819

IUPAC3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine
SMILESCC1CCN(c2noc3cc(N)ccc23)CC1
InChIInChI=1S/C13H17N3O/c1-9-4-6-16(7-5-9)13-11-3-2-10(14)8-12(11)17-15-13/h2-3,8-9H,4-7,14H2,1H3
InChIKeyMPLRABABPAYEIG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.65
Rot. Bonds1

About 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine

3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine (PubChem CID 84694819) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine
PubChem CID84694819
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine
SMILESCC1CCN(c2noc3cc(N)ccc23)CC1
InChIInChI=1S/C13H17N3O/c1-9-4-6-16(7-5-9)13-11-3-2-10(14)8-12(11)17-15-13/h2-3,8-9H,4-7,14H2,1H3
InChIKeyMPLRABABPAYEIG-UHFFFAOYSA-N
XLogP2.65
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine (CID 84694819) is 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine is CC1CCN(c2noc3cc(N)ccc23)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine?
The InChIKey is MPLRABABPAYEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-6-16(7-5-9)13-11-3-2-10(14)8-12(11)17-15-13/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine?
3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine has a molecular weight of 231.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 84694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).