6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole

C21H31N3 — CID 70187424

IUPAC6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole
SMILESCCN1CCC(C(C2=CC=C3C=CN=C3C2)C2CCCN2C)CC1
InChIInChI=1S/C21H31N3/c1-3-24-13-9-17(10-14-24)21(20-5-4-12-23(20)2)18-7-6-16-8-11-22-19(16)15-18/h6-8,11,17,20-21H,3-5,9-10,12-15H2,1-2H3
InChIKeyBBFGQXFILGWSLY-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.65
Rot. Bonds4

About 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole

6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole (PubChem CID 70187424) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole
PubChem CID70187424
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole
SMILESCCN1CCC(C(C2=CC=C3C=CN=C3C2)C2CCCN2C)CC1
InChIInChI=1S/C21H31N3/c1-3-24-13-9-17(10-14-24)21(20-5-4-12-23(20)2)18-7-6-16-8-11-22-19(16)15-18/h6-8,11,17,20-21H,3-5,9-10,12-15H2,1-2H3
InChIKeyBBFGQXFILGWSLY-UHFFFAOYSA-N
XLogP3.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole (CID 70187424) is 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole is CCN1CCC(C(C2=CC=C3C=CN=C3C2)C2CCCN2C)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole?
The InChIKey is BBFGQXFILGWSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-3-24-13-9-17(10-14-24)21(20-5-4-12-23(20)2)18-7-6-16-8-11-22-19(16)15-18/h6-8,11,17,20-21H,3-5,9-10,12-15H2,1-2H3.
What are the key properties of 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole?
6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole has a molecular weight of 325.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole is sourced from PubChem (CID 70187424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).