3-[[(2S)-piperazin-2-yl]methyl]-1H-indole

C13H17N3 — CID 59208274

IUPAC3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
SMILESc1ccc2c(C[C@H]3CNCCN3)c[nH]c2c1
InChIInChI=1S/C13H17N3/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11/h1-4,8,11,14-16H,5-7,9H2/t11-/m0/s1
InChIKeyODKQLQNWOTWGKY-NSHDSACASA-N
MW215.30 g/mol
LogP1.27
Rot. Bonds2

About 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole

3-[[(2S)-piperazin-2-yl]methyl]-1H-indole (PubChem CID 59208274) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
PubChem CID59208274
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
SMILESc1ccc2c(C[C@H]3CNCCN3)c[nH]c2c1
InChIInChI=1S/C13H17N3/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11/h1-4,8,11,14-16H,5-7,9H2/t11-/m0/s1
InChIKeyODKQLQNWOTWGKY-NSHDSACASA-N
XLogP1.27
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
CID 140992063
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
2-methylpiperazine;3-propyl-1H-indole
CID 143269934
1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
4-(3,5-dichlorophenoxy)-3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile;3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 159031209
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
4-[4-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]but-2-ynyl]morpholine
CID 142644923
1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole?
The IUPAC name of 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole (CID 59208274) is 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole is c1ccc2c(C[C@H]3CNCCN3)c[nH]c2c1.
What is the InChIKey of 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole?
The InChIKey is ODKQLQNWOTWGKY-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-13-12(3-1)10(8-16-13)7-11-9-14-5-6-15-11/h1-4,8,11,14-16H,5-7,9H2/t11-/m0/s1.
What are the key properties of 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole?
3-[[(2S)-piperazin-2-yl]methyl]-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-piperazin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 59208274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).