1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C21H31N3O — CID 70762800

IUPAC1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21
InChIInChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3
InChIKeyQPZXEYUZIIMYGA-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.08
Rot. Bonds5

About 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70762800) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70762800
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21
InChIInChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3
InChIKeyQPZXEYUZIIMYGA-UHFFFAOYSA-N
XLogP3.08
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70762800) is 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is CCn1ccc2ccc(CN3CCC(O)(CN4CCCCC4)C3)cc21.
What is the InChIKey of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is QPZXEYUZIIMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-24-12-8-19-7-6-18(14-20(19)24)15-23-13-9-21(25,17-23)16-22-10-4-3-5-11-22/h6-8,12,14,25H,2-5,9-11,13,15-17H2,1H3.
What are the key properties of 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 341.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70762800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).