1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine

C15H21NO — CID 73357270

IUPAC1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine
SMILESC[C@H]1c2ccccc2O[C@H]1CN1CCCCC1
InChIInChI=1S/C15H21NO/c1-12-13-7-3-4-8-14(13)17-15(12)11-16-9-5-2-6-10-16/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/t12-,15-/m0/s1
InChIKeyMMYNKGGNYCLPKO-WFASDCNBSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds2

About 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine

1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine (PubChem CID 73357270) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine
PubChem CID73357270
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine
SMILESC[C@H]1c2ccccc2O[C@H]1CN1CCCCC1
InChIInChI=1S/C15H21NO/c1-12-13-7-3-4-8-14(13)17-15(12)11-16-9-5-2-6-10-16/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/t12-,15-/m0/s1
InChIKeyMMYNKGGNYCLPKO-WFASDCNBSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine (CID 73357270) is 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine is C[C@H]1c2ccccc2O[C@H]1CN1CCCCC1.
What is the InChIKey of 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine?
The InChIKey is MMYNKGGNYCLPKO-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-13-7-3-4-8-14(13)17-15(12)11-16-9-5-2-6-10-16/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine?
1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine is sourced from PubChem (CID 73357270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).