5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine

C16H24N2O — CID 79993423

IUPAC5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine
SMILESCc1ccc2c(c1)CC(CN1CC(C)CC(N)C1)O2
InChIInChI=1S/C16H24N2O/c1-11-3-4-16-13(5-11)7-15(19-16)10-18-8-12(2)6-14(17)9-18/h3-5,12,14-15H,6-10,17H2,1-2H3
InChIKeyMEJZSBDGMLMIIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.97
Rot. Bonds2

About 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine

5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine (PubChem CID 79993423) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine
PubChem CID79993423
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine
SMILESCc1ccc2c(c1)CC(CN1CC(C)CC(N)C1)O2
InChIInChI=1S/C16H24N2O/c1-11-3-4-16-13(5-11)7-15(19-16)10-18-8-12(2)6-14(17)9-18/h3-5,12,14-15H,6-10,17H2,1-2H3
InChIKeyMEJZSBDGMLMIIP-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine 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 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine (CID 79993423) is 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine is Cc1ccc2c(c1)CC(CN1CC(C)CC(N)C1)O2.
What is the InChIKey of 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The InChIKey is MEJZSBDGMLMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-3-4-16-13(5-11)7-15(19-16)10-18-8-12(2)6-14(17)9-18/h3-5,12,14-15H,6-10,17H2,1-2H3.
What are the key properties of 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine?
5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).