3-(2-methylpiperidin-1-yl)-1,2-benzoxazole

C13H16N2O — CID 54476085

IUPAC3-(2-methylpiperidin-1-yl)-1,2-benzoxazole
SMILESCC1CCCCN1c1noc2ccccc12
InChIInChI=1S/C13H16N2O/c1-10-6-4-5-9-15(10)13-11-7-2-3-8-12(11)16-14-13/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyXLRAIWMJVPEZHL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds1

About 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole

3-(2-methylpiperidin-1-yl)-1,2-benzoxazole (PubChem CID 54476085) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-1,2-benzoxazole
PubChem CID54476085
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(2-methylpiperidin-1-yl)-1,2-benzoxazole
SMILESCC1CCCCN1c1noc2ccccc12
InChIInChI=1S/C13H16N2O/c1-10-6-4-5-9-15(10)13-11-7-2-3-8-12(11)16-14-13/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyXLRAIWMJVPEZHL-UHFFFAOYSA-N
XLogP3.21
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpiperidin-1-yl)-1,2-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

2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937
3-(4-methylpiperazin-1-yl)-1,2-benzoxazole
CID 21029567
2-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 178002712
[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 80928083
[4-(1,2-benzoxazol-3-yl)morpholin-3-yl]methanamine
CID 114265591
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
1-(2-methylpyrrolidin-1-yl)isoquinoline-3-carboxylic acid
CID 54882410
2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
CID 25230888
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
3-[(2S)-2-methylpiperidin-1-yl]pyrazin-2-amine
CID 124676124
[2-(1-benzofuran-3-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxalin-6-yl]methanediol
CID 163661075
(7S,9aS)-2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carbaldehyde
CID 10946041

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole (CID 54476085) is 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole is CC1CCCCN1c1noc2ccccc12.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole?
The InChIKey is XLRAIWMJVPEZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-6-4-5-9-15(10)13-11-7-2-3-8-12(11)16-14-13/h2-3,7-8,10H,4-6,9H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole?
3-(2-methylpiperidin-1-yl)-1,2-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-1,2-benzoxazole is sourced from PubChem (CID 54476085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).