2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine

C15H21N3O — CID 115211282

IUPAC2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCCC3CCCNC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-18-14-5-4-13(9-15(14)19-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyUREGYDPGJWIVHX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds4

About 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine

2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine (PubChem CID 115211282) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
PubChem CID115211282
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NCCC3CCCNC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-18-14-5-4-13(9-15(14)19-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyUREGYDPGJWIVHX-UHFFFAOYSA-N
XLogP2.94
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281
2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486
N-(piperidin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 115209518
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine (CID 115211282) is 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine is Cc1nc2ccc(NCCC3CCCNC3)cc2o1.
What is the InChIKey of 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is UREGYDPGJWIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-18-14-5-4-13(9-15(14)19-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine?
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 259.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115211282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).