2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

C14H18N2O2 — CID 63870416

IUPAC2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-2-4-13-12(3-1)16-14(18-13)7-10-17-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyXAXCMPZKPHWFCQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (PubChem CID 63870416) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
PubChem CID63870416
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-2-4-13-12(3-1)16-14(18-13)7-10-17-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyXAXCMPZKPHWFCQ-UHFFFAOYSA-N
XLogP2.14
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 64792495
5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 107676158
6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 63870572
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
CID 63870232
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703555
5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
2-(6-phenylmethoxyhexyl)-1,3-benzoxazole
CID 102258038
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
4-[2-(3-bromophenyl)ethoxy]piperidine
CID 115070549
2-pentyl-1,3-benzoxazole
CID 23425

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (CID 63870416) is 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is c1ccc2oc(CCOC3CCNCC3)nc2c1.
What is the InChIKey of 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The InChIKey is XAXCMPZKPHWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-4-13-12(3-1)16-14(18-13)7-10-17-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole has a molecular weight of 246.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is sourced from PubChem (CID 63870416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).