3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

C17H26N2 — CID 80577266

IUPAC3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESCC1CCC(C)N(CCC2CNc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-13-7-8-14(2)19(12-13)10-9-15-11-18-17-6-4-3-5-16(15)17/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyBFVGPBWJLCIHPX-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.71
Rot. Bonds3

About 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (PubChem CID 80577266) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
PubChem CID80577266
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESCC1CCC(C)N(CCC2CNc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-13-7-8-14(2)19(12-13)10-9-15-11-18-17-6-4-3-5-16(15)17/h3-6,13-15,18H,7-12H2,1-2H3
InChIKeyBFVGPBWJLCIHPX-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574822
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
CID 80573410
3-[2-(2-propylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 83055716
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
3-[2-(3-ethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80576591
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574620
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574811
1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 24700363
2-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24695821
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (CID 80577266) is 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is CC1CCC(C)N(CCC2CNc3ccccc32)C1.
What is the InChIKey of 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The InChIKey is BFVGPBWJLCIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-7-8-14(2)19(12-13)10-9-15-11-18-17-6-4-3-5-16(15)17/h3-6,13-15,18H,7-12H2,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole has a molecular weight of 258.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80577266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).