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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Related Compounds

N-(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-yl)benzamide
CID 3073076
N-((1-benzylpiperidin-4-yl)methyl)benzo[d]isoxazol-3-amine
CID 9996198
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-3-amine
CID 10449628
N-(biphenyl-4-yl)benzo[d]isoxazol-3-amine
CID 45484855
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-amine
CID 9945661
N-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 10110147
3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride
CID 13232476
3-(Piperazin-1-yl)-1,2-benzoxazole
CID 13232475
N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484853
N-(2-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484864
N-(2-methyl-2-phenylpropyl)-1,2-benzoxazol-3-amine
CID 90645438
(2S)-1-[5-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pentanoyl]pyrrolidine-2-carboxamide
CID 90654703

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).