1-(1-benzylpiperidin-4-yl)-3-ethylindole

C22H26N2 — CID 135053599

IUPAC1-(1-benzylpiperidin-4-yl)-3-ethylindole
SMILESCCc1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H26N2/c1-2-19-17-24(22-11-7-6-10-21(19)22)20-12-14-23(15-13-20)16-18-8-4-3-5-9-18/h3-11,17,20H,2,12-16H2,1H3
InChIKeyDHYKMLXRKOLHBO-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.04
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-ethylindole

1-(1-benzylpiperidin-4-yl)-3-ethylindole (PubChem CID 135053599) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-ethylindole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-ethylindole
PubChem CID135053599
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-ethylindole
SMILESCCc1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H26N2/c1-2-19-17-24(22-11-7-6-10-21(19)22)20-12-14-23(15-13-20)16-18-8-4-3-5-9-18/h3-11,17,20H,2,12-16H2,1H3
InChIKeyDHYKMLXRKOLHBO-UHFFFAOYSA-N
XLogP5.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
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1-(1-benzylpiperidin-4-yl)-3-methyl-6-(1,2,4-triazol-4-yl)indole;dihydrochloride
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2-(1-cyclopropylindol-3-yl)ethanol
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2-(1-benzylpyrrolidin-3-yl)-4-methylisoindol-1-ol
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3-(1-benzylpiperidin-4-yl)-1-ethylindazole
CID 67627191
1-(1-benzylpiperidin-4-yl)quinolin-2-one
CID 14969566
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-(1-benzylpiperidin-4-yl)ethanone
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1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-ethylindole?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-ethylindole (CID 135053599) is 1-(1-benzylpiperidin-4-yl)-3-ethylindole.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-ethylindole?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-ethylindole is CCc1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-ethylindole?
The InChIKey is DHYKMLXRKOLHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-19-17-24(22-11-7-6-10-21(19)22)20-12-14-23(15-13-20)16-18-8-4-3-5-9-18/h3-11,17,20H,2,12-16H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-ethylindole?
1-(1-benzylpiperidin-4-yl)-3-ethylindole has a molecular weight of 318.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-ethylindole is sourced from PubChem (CID 135053599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).