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Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate

C17H23NO3 — CID 115537925

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C17H23NO3/c1-12-6-7-16-13(9-12)10-14(21-16)11-18-8-4-3-5-15(18)17(19)20-2/h6-7,9,14-15H,3-5,8,10-11H2,1-2H3/t14?,15-/m1/s1
InChIKeyOJCKYVLUMBCPFY-YSSOQSIOSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds3

About Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate

Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 115537925) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound NameMethyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
PubChem CID115537925
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C17H23NO3/c1-12-6-7-16-13(9-12)10-14(21-16)11-18-8-4-3-5-15(18)17(19)20-2/h6-7,9,14-15H,3-5,8,10-11H2,1-2H3/t14?,15-/m1/s1
InChIKeyOJCKYVLUMBCPFY-YSSOQSIOSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate (CID 115537925) is methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC1Cc2cc(C)ccc2O1.
What is the InChIKey of Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is OJCKYVLUMBCPFY-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-6-7-16-13(9-12)10-14(21-16)11-18-8-4-3-5-15(18)17(19)20-2/h6-7,9,14-15H,3-5,8,10-11H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate?
Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl (2R)-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115537925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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