2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole

C12H18N2O — CID 142784210

IUPAC2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole
SMILESC1=CC2=C(CC1)NC(C1CCNCC1)O2
InChIInChI=1S/C12H18N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h2,4,9,12-14H,1,3,5-8H2
InChIKeyUZKZPNKWRSXQMV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds1

About 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole

2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole (PubChem CID 142784210) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole
PubChem CID142784210
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole
SMILESC1=CC2=C(CC1)NC(C1CCNCC1)O2
InChIInChI=1S/C12H18N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h2,4,9,12-14H,1,3,5-8H2
InChIKeyUZKZPNKWRSXQMV-UHFFFAOYSA-N
XLogP1.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole (CID 142784210) is 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole is C1=CC2=C(CC1)NC(C1CCNCC1)O2.
What is the InChIKey of 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole?
The InChIKey is UZKZPNKWRSXQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h2,4,9,12-14H,1,3,5-8H2.
What are the key properties of 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole?
2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole has a molecular weight of 206.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-2,3,4,5-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 142784210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).