5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

C18H28N2 — CID 62084010

IUPAC5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCN(Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)16-7-10-20(11-8-16)13-14-4-5-17-15(12-14)6-9-19-17/h4-5,12,16,19H,6-11,13H2,1-3H3
InChIKeyJJBRQICUBUZLPL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.91
Rot. Bonds2

About 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 62084010) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID62084010
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCN(Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)16-7-10-20(11-8-16)13-14-4-5-17-15(12-14)6-9-19-17/h4-5,12,16,19H,6-11,13H2,1-3H3
InChIKeyJJBRQICUBUZLPL-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indol-5-ylmethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165389
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534936
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507
(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726902

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 62084010) is 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is CC(C)(C)C1CCN(Cc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is JJBRQICUBUZLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)16-7-10-20(11-8-16)13-14-4-5-17-15(12-14)6-9-19-17/h4-5,12,16,19H,6-11,13H2,1-3H3.
What are the key properties of 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 272.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 62084010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).