1-ethyl-2-[(2S)-piperidin-2-yl]indole

C15H20N2 — CID 97181724

IUPAC1-ethyl-2-[(2S)-piperidin-2-yl]indole
SMILESCCn1c([C@@H]2CCCCN2)cc2ccccc21
InChIInChI=1S/C15H20N2/c1-2-17-14-9-4-3-7-12(14)11-15(17)13-8-5-6-10-16-13/h3-4,7,9,11,13,16H,2,5-6,8,10H2,1H3/t13-/m0/s1
InChIKeyVNJFOPSOMNNFQL-ZDUSSCGKSA-N
MW228.34 g/mol
LogP3.48
Rot. Bonds2

About 1-ethyl-2-[(2S)-piperidin-2-yl]indole

1-ethyl-2-[(2S)-piperidin-2-yl]indole (PubChem CID 97181724) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-ethyl-2-[(2S)-piperidin-2-yl]indole.

Molecular Properties

Compound Name1-ethyl-2-[(2S)-piperidin-2-yl]indole
PubChem CID97181724
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-ethyl-2-[(2S)-piperidin-2-yl]indole
SMILESCCn1c([C@@H]2CCCCN2)cc2ccccc21
InChIInChI=1S/C15H20N2/c1-2-17-14-9-4-3-7-12(14)11-15(17)13-8-5-6-10-16-13/h3-4,7,9,11,13,16H,2,5-6,8,10H2,1H3/t13-/m0/s1
InChIKeyVNJFOPSOMNNFQL-ZDUSSCGKSA-N
XLogP3.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-pyrrolidin-2-ylindole
CID 15920765
2-naphthalen-1-ylpiperidine
CID 4209523
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
(2S)-2-naphthalen-1-ylazepane
CID 7048283
(2S)-2-phenylpiperidine
CID 10997356
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
CID 100589849
2-cyclohexyl-1-ethylindol-5-amine
CID 67284570
1-piperidin-2-ylnaphthalen-2-ol
CID 53391922
[(2S)-2-[2-(1-ethylindol-2-yl)ethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 140994893
2-bromo-1-ethylindole
CID 20753566
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62388125

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2S)-piperidin-2-yl]indole?
The IUPAC name of 1-ethyl-2-[(2S)-piperidin-2-yl]indole (CID 97181724) is 1-ethyl-2-[(2S)-piperidin-2-yl]indole.
What is the SMILES notation for 1-ethyl-2-[(2S)-piperidin-2-yl]indole?
The canonical SMILES for 1-ethyl-2-[(2S)-piperidin-2-yl]indole is CCn1c([C@@H]2CCCCN2)cc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(2S)-piperidin-2-yl]indole?
The InChIKey is VNJFOPSOMNNFQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-17-14-9-4-3-7-12(14)11-15(17)13-8-5-6-10-16-13/h3-4,7,9,11,13,16H,2,5-6,8,10H2,1H3/t13-/m0/s1.
What are the key properties of 1-ethyl-2-[(2S)-piperidin-2-yl]indole?
1-ethyl-2-[(2S)-piperidin-2-yl]indole has a molecular weight of 228.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2S)-piperidin-2-yl]indole is sourced from PubChem (CID 97181724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).