methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate

C16H21NO3 — CID 115536905

IUPACmethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1COc2ccccc21
InChIInChI=1S/C16H21NO3/c1-19-16(18)14-7-4-5-9-17(14)10-12-11-20-15-8-3-2-6-13(12)15/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3
InChIKeyCSALXQVJHGYZPC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.19
Rot. Bonds3

About methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate

methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate (PubChem CID 115536905) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
PubChem CID115536905
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1COc2ccccc21
InChIInChI=1S/C16H21NO3/c1-19-16(18)14-7-4-5-9-17(14)10-12-11-20-15-8-3-2-6-13(12)15/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3
InChIKeyCSALXQVJHGYZPC-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrolidine-2-carboxylate
CID 79230459
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-3-carboxylate
CID 115880145
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
CID 115537925

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate (CID 115536905) is methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CC1COc2ccccc21.
What is the InChIKey of methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate?
The InChIKey is CSALXQVJHGYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-16(18)14-7-4-5-9-17(14)10-12-11-20-15-8-3-2-6-13(12)15/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3.
What are the key properties of methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate?
methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-2-carboxylate is sourced from PubChem (CID 115536905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).