2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine

C15H21N3O — CID 79890815

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCCC1(C)CCN(c2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C15H21N3O/c1-3-15(2)6-8-18(9-7-15)14-17-12-10-11(16)4-5-13(12)19-14/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyPOYBCGFPKGFORR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.43
Rot. Bonds2

About 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine

2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79890815) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79890815
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
SMILESCCC1(C)CCN(c2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C15H21N3O/c1-3-15(2)6-8-18(9-7-15)14-17-12-10-11(16)4-5-13(12)19-14/h4-5,10H,3,6-9,16H2,1-2H3
InChIKeyPOYBCGFPKGFORR-UHFFFAOYSA-N
XLogP3.43
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.43
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

2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890059
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 82692189
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79885735
[4-(5-amino-1,3-benzoxazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 155535929
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine (CID 79890815) is 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine is CCC1(C)CCN(c2nc3cc(N)ccc3o2)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is POYBCGFPKGFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(2)6-8-18(9-7-15)14-17-12-10-11(16)4-5-13(12)19-14/h4-5,10H,3,6-9,16H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine?
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79890815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).