N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine

C15H21N3O — CID 79719885

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCCN(CC1CCNCC1)c1nc2ccccc2o1
InChIInChI=1S/C15H21N3O/c1-2-18(11-12-7-9-16-10-8-12)15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyRZOISYDJRDLSOP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine

N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 79719885) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID79719885
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCCN(CC1CCNCC1)c1nc2ccccc2o1
InChIInChI=1S/C15H21N3O/c1-2-18(11-12-7-9-16-10-8-12)15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3
InChIKeyRZOISYDJRDLSOP-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine (CID 79719885) is N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine is CCN(CC1CCNCC1)c1nc2ccccc2o1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is RZOISYDJRDLSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18(11-12-7-9-16-10-8-12)15-17-13-5-3-4-6-14(13)19-15/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine?
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 79719885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).