N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine

C15H21N3O — CID 116951196

IUPACN-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
SMILESCNC(c1ccc2nc(C)oc2c1)C1CCCCN1
InChIInChI=1S/C15H21N3O/c1-10-18-12-7-6-11(9-14(12)19-10)15(16-2)13-5-3-4-8-17-13/h6-7,9,13,15-17H,3-5,8H2,1-2H3
InChIKeyIRYPFUNVCZEWLP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds3

About N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine

N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine (PubChem CID 116951196) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
PubChem CID116951196
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
SMILESCNC(c1ccc2nc(C)oc2c1)C1CCCCN1
InChIInChI=1S/C15H21N3O/c1-10-18-12-7-6-11(9-14(12)19-10)15(16-2)13-5-3-4-8-17-13/h6-7,9,13,15-17H,3-5,8H2,1-2H3
InChIKeyIRYPFUNVCZEWLP-UHFFFAOYSA-N
XLogP2.54
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 116955902
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116948599

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine (CID 116951196) is N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine is CNC(c1ccc2nc(C)oc2c1)C1CCCCN1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine?
The InChIKey is IRYPFUNVCZEWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-18-12-7-6-11(9-14(12)19-10)15(16-2)13-5-3-4-8-17-13/h6-7,9,13,15-17H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine?
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 116951196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).