2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole

C21H26N2 — CID 14577479

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole
SMILESc1ccc(CN2CCC(CN3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-2-6-18(7-3-1)14-22-12-10-19(11-13-22)15-23-16-20-8-4-5-9-21(20)17-23/h1-9,19H,10-17H2
InChIKeySCRVGZOOIAMMBW-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.91
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole

2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole (PubChem CID 14577479) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole
PubChem CID14577479
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole
SMILESc1ccc(CN2CCC(CN3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-2-6-18(7-3-1)14-22-12-10-19(11-13-22)15-23-16-20-8-4-5-9-21(20)17-23/h1-9,19H,10-17H2
InChIKeySCRVGZOOIAMMBW-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole (CID 14577479) is 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole is c1ccc(CN2CCC(CN3Cc4ccccc4C3)CC2)cc1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is SCRVGZOOIAMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-6-18(7-3-1)14-22-12-10-19(11-13-22)15-23-16-20-8-4-5-9-21(20)17-23/h1-9,19H,10-17H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole?
2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 306.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 14577479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).