N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

C21H27N3O — CID 75428107

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESc1cncc(CN2CCC(NCCc3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H27N3O/c1-2-18(15-22-9-1)16-24-11-6-20(7-12-24)23-10-5-17-3-4-21-19(14-17)8-13-25-21/h1-4,9,14-15,20,23H,5-8,10-13,16H2
InChIKeyJAFWVRWRPDGCTF-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 75428107) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID75428107
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESc1cncc(CN2CCC(NCCc3ccc4c(c3)CCO4)CC2)c1
InChIInChI=1S/C21H27N3O/c1-2-18(15-22-9-1)16-24-11-6-20(7-12-24)23-10-5-17-3-4-21-19(14-17)8-13-25-21/h1-4,9,14-15,20,23H,5-8,10-13,16H2
InChIKeyJAFWVRWRPDGCTF-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 75428107) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is c1cncc(CN2CCC(NCCc3ccc4c(c3)CCO4)CC2)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is JAFWVRWRPDGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-18(15-22-9-1)16-24-11-6-20(7-12-24)23-10-5-17-3-4-21-19(14-17)8-13-25-21/h1-4,9,14-15,20,23H,5-8,10-13,16H2.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75428107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).