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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Related Compounds

N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703555
N-(2-bromoethyl)-N-ethyl-1,3-benzoxazol-2-amine
CID 80672616
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
N-ethyl-N-(piperidin-4-ylmethyl)phthalazin-1-amine
CID 79719670
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
CID 44603809
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 86794329
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363

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).