N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine

C23H28N2O3 — CID 10691211

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine
SMILESc1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCC4)CC1)O2
InChIInChI=1S/C23H28N2O3/c1-2-7-22-21(6-1)27-16-19(28-22)15-24-14-17-8-11-25(12-9-17)20-5-3-4-18-10-13-26-23(18)20/h1-7,17,19,24H,8-16H2
InChIKeyCKEHNJZQODAPNT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine (PubChem CID 10691211) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine
PubChem CID10691211
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine
SMILESc1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCC4)CC1)O2
InChIInChI=1S/C23H28N2O3/c1-2-7-22-21(6-1)27-16-19(28-22)15-24-14-17-8-11-25(12-9-17)20-5-3-4-18-10-13-26-23(18)20/h1-7,17,19,24H,8-16H2
InChIKeyCKEHNJZQODAPNT-UHFFFAOYSA-N
XLogP3.27
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine (CID 10691211) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine is c1ccc2c(c1)OCC(CNCC1CCN(c3cccc4c3OCC4)CC1)O2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine?
The InChIKey is CKEHNJZQODAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-7-22-21(6-1)27-16-19(28-22)15-24-14-17-8-11-25(12-9-17)20-5-3-4-18-10-13-26-23(18)20/h1-7,17,19,24H,8-16H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine has a molecular weight of 380.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 10691211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).