2-(2-piperidin-2-ylethyl)-1,3-benzoxazole

C14H18N2O — CID 62217382

IUPAC2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCC3CCCCN3)nc2c1
InChIInChI=1S/C14H18N2O/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyOXQRDYFJRGIUHL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole

2-(2-piperidin-2-ylethyl)-1,3-benzoxazole (PubChem CID 62217382) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
PubChem CID62217382
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCC3CCCCN3)nc2c1
InChIInChI=1S/C14H18N2O/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyOXQRDYFJRGIUHL-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-1,3-benzoxazole
CID 102682244
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 63870416
N-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-benzoxazole-2-sulfonamide
CID 97166074
CID 142470178
CID 142470178

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole (CID 62217382) is 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole is c1ccc2oc(CCC3CCCCN3)nc2c1.
What is the InChIKey of 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole?
The InChIKey is OXQRDYFJRGIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole?
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 62217382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).