3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

C19H30N2 — CID 80574620

IUPAC3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCN(CCC2CNc3ccccc32)CC1
InChIInChI=1S/C19H30N2/c1-19(2,3)16-9-12-21(13-10-16)11-8-15-14-20-18-7-5-4-6-17(15)18/h4-7,15-16,20H,8-14H2,1-3H3
InChIKeyCIPSYTZGJMNYJF-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.34
Rot. Bonds3

About 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (PubChem CID 80574620) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
PubChem CID80574620
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCN(CCC2CNc3ccccc32)CC1
InChIInChI=1S/C19H30N2/c1-19(2,3)16-9-12-21(13-10-16)11-8-15-14-20-18-7-5-4-6-17(15)18/h4-7,15-16,20H,8-14H2,1-3H3
InChIKeyCIPSYTZGJMNYJF-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (CID 80574620) is 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is CC(C)(C)C1CCN(CCC2CNc3ccccc32)CC1.
What is the InChIKey of 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The InChIKey is CIPSYTZGJMNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)16-9-12-21(13-10-16)11-8-15-14-20-18-7-5-4-6-17(15)18/h4-7,15-16,20H,8-14H2,1-3H3.
What are the key properties of 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole has a molecular weight of 286.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80574620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).