2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole

C14H18N2O — CID 82495132

IUPAC2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CC3CCCCN3)cc2o1
InChIInChI=1S/C14H18N2O/c1-10-16-13-6-5-11(9-14(13)17-10)8-12-4-2-3-7-15-12/h5-6,9,12,15H,2-4,7-8H2,1H3
InChIKeyNYMHUKWOAORGMN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole

2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 82495132) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID82495132
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESCc1nc2ccc(CC3CCCCN3)cc2o1
InChIInChI=1S/C14H18N2O/c1-10-16-13-6-5-11(9-14(13)17-10)8-12-4-2-3-7-15-12/h5-6,9,12,15H,2-4,7-8H2,1H3
InChIKeyNYMHUKWOAORGMN-UHFFFAOYSA-N
XLogP2.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208337
2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
CID 117331068
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
CID 116951196
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole (CID 82495132) is 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole is Cc1nc2ccc(CC3CCCCN3)cc2o1.
What is the InChIKey of 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is NYMHUKWOAORGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-16-13-6-5-11(9-14(13)17-10)8-12-4-2-3-7-15-12/h5-6,9,12,15H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole?
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 82495132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).