[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol

C13H17N3O2 — CID 79890926

IUPAC[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
SMILESNc1ccc2nc(N3CCC(CO)CC3)oc2c1
InChIInChI=1S/C13H17N3O2/c14-10-1-2-11-12(7-10)18-13(15-11)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,14H2
InChIKeyONXUJIJBVJVLAN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.62
Rot. Bonds2

About [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol

[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol (PubChem CID 79890926) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
PubChem CID79890926
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
SMILESNc1ccc2nc(N3CCC(CO)CC3)oc2c1
InChIInChI=1S/C13H17N3O2/c14-10-1-2-11-12(7-10)18-13(15-11)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,14H2
InChIKeyONXUJIJBVJVLAN-UHFFFAOYSA-N
XLogP1.62
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
CID 79893232
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
CID 171778085
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-[3-(hydroxymethyl)piperidin-1-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116690760
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol (CID 79890926) is [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol is Nc1ccc2nc(N3CCC(CO)CC3)oc2c1.
What is the InChIKey of [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The InChIKey is ONXUJIJBVJVLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-1-2-11-12(7-10)18-13(15-11)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8,14H2.
What are the key properties of [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 79890926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).