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

C14H18N2O — CID 84693586

IUPAC7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
SMILESCc1cccc2c(CC3CCCNC3)noc12
InChIInChI=1S/C14H18N2O/c1-10-4-2-6-12-13(16-17-14(10)12)8-11-5-3-7-15-9-11/h2,4,6,11,15H,3,5,7-9H2,1H3
InChIKeyGIGHIMIYVIXVBQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds2

About 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole

7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole (PubChem CID 84693586) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
PubChem CID84693586
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
SMILESCc1cccc2c(CC3CCCNC3)noc12
InChIInChI=1S/C14H18N2O/c1-10-4-2-6-12-13(16-17-14(10)12)8-11-5-3-7-15-9-11/h2,4,6,11,15H,3,5,7-9H2,1H3
InChIKeyGIGHIMIYVIXVBQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
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3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
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5-(piperidin-3-ylmethyl)quinoline
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4-(piperidin-3-ylmethyl)quinazoline
CID 105484818
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
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3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole?
The IUPAC name of 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole (CID 84693586) is 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole.
What is the SMILES notation for 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole?
The canonical SMILES for 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole is Cc1cccc2c(CC3CCCNC3)noc12.
What is the InChIKey of 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole?
The InChIKey is GIGHIMIYVIXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-2-6-12-13(16-17-14(10)12)8-11-5-3-7-15-9-11/h2,4,6,11,15H,3,5,7-9H2,1H3.
What are the key properties of 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole?
7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole has a molecular weight of 230.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole is sourced from PubChem (CID 84693586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).