2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine

C15H21N3O — CID 79995284

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine
SMILESCCC1CCCCN1Cc1nc2c(N)cccc2o1
InChIInChI=1S/C15H21N3O/c1-2-11-6-3-4-9-18(11)10-14-17-15-12(16)7-5-8-13(15)19-14/h5,7-8,11H,2-4,6,9-10,16H2,1H3
InChIKeyMERPFZYDLHZQQG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine

2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine (PubChem CID 79995284) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine
PubChem CID79995284
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine
SMILESCCC1CCCCN1Cc1nc2c(N)cccc2o1
InChIInChI=1S/C15H21N3O/c1-2-11-6-3-4-9-18(11)10-14-17-15-12(16)7-5-8-13(15)19-14/h5,7-8,11H,2-4,6,9-10,16H2,1H3
InChIKeyMERPFZYDLHZQQG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-N-[(1-methylpiperidin-2-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892704
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103530943
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
CID 79999662
2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996226
2-(cyclopentylmethylsulfanylmethyl)-1,3-benzoxazol-4-amine
CID 79999711
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 79996082
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
3-bromo-2-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973615
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 95978858
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine (CID 79995284) is 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine is CCC1CCCCN1Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine?
The InChIKey is MERPFZYDLHZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-11-6-3-4-9-18(11)10-14-17-15-12(16)7-5-8-13(15)19-14/h5,7-8,11H,2-4,6,9-10,16H2,1H3.
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine?
2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79995284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).