[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

C21H27N3O — CID 95201376

IUPAC[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)O[C@@H](CN)C2
InChIInChI=1S/C21H27N3O/c1-15-9-17-11-18(12-22)25-21(17)19(10-15)20-6-5-16(13-23-20)14-24-7-3-2-4-8-24/h5-6,9-10,13,18H,2-4,7-8,11-12,14,22H2,1H3/t18-/m1/s1
InChIKeyGKOPASVSBHZGTJ-GOSISDBHSA-N
MW337.47 g/mol
LogP3.31
Rot. Bonds4

About [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95201376) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95201376
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)O[C@@H](CN)C2
InChIInChI=1S/C21H27N3O/c1-15-9-17-11-18(12-22)25-21(17)19(10-15)20-6-5-16(13-23-20)14-24-7-3-2-4-8-24/h5-6,9-10,13,18H,2-4,7-8,11-12,14,22H2,1H3/t18-/m1/s1
InChIKeyGKOPASVSBHZGTJ-GOSISDBHSA-N
XLogP3.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95201376) is [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)O[C@@H](CN)C2.
What is the InChIKey of [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is GKOPASVSBHZGTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-9-17-11-18(12-22)25-21(17)19(10-15)20-6-5-16(13-23-20)14-24-7-3-2-4-8-24/h5-6,9-10,13,18H,2-4,7-8,11-12,14,22H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 337.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95201376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).