2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine

C15H19NO — CID 117331068

IUPAC2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
SMILESCc1cc2cc(CC3CCCCN3)ccc2o1
InChIInChI=1S/C15H19NO/c1-11-8-13-9-12(5-6-15(13)17-11)10-14-4-2-3-7-16-14/h5-6,8-9,14,16H,2-4,7,10H2,1H3
InChIKeyYYLPLKFKDZYUQU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.43
Rot. Bonds2

About 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine

2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117331068) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117331068
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine
SMILESCc1cc2cc(CC3CCCCN3)ccc2o1
InChIInChI=1S/C15H19NO/c1-11-8-13-9-12(5-6-15(13)17-11)10-14-4-2-3-7-16-14/h5-6,8-9,14,16H,2-4,7,10H2,1H3
InChIKeyYYLPLKFKDZYUQU-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)methyl]pyrrolidine
CID 117426679
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361
2-[(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)methyl]piperidine
CID 117372167
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine (CID 117331068) is 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine is Cc1cc2cc(CC3CCCCN3)ccc2o1.
What is the InChIKey of 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is YYLPLKFKDZYUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-13-9-12(5-6-15(13)17-11)10-14-4-2-3-7-16-14/h5-6,8-9,14,16H,2-4,7,10H2,1H3.
What are the key properties of 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine?
2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 229.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117331068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).