7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole

C13H17N3O — CID 165356820

IUPAC7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
SMILESCOc1cccc2cc([C@@H]3CNCCN3)[nH]c12
InChIInChI=1S/C13H17N3O/c1-17-12-4-2-3-9-7-10(16-13(9)12)11-8-14-5-6-15-11/h2-4,7,11,14-16H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyJMBJNFMTGIBNFN-NSHDSACASA-N
MW231.30 g/mol
LogP1.41
Rot. Bonds2

About 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole

7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole (PubChem CID 165356820) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole.

Molecular Properties

Compound Name7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
PubChem CID165356820
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole
SMILESCOc1cccc2cc([C@@H]3CNCCN3)[nH]c12
InChIInChI=1S/C13H17N3O/c1-17-12-4-2-3-9-7-10(16-13(9)12)11-8-14-5-6-15-11/h2-4,7,11,14-16H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyJMBJNFMTGIBNFN-NSHDSACASA-N
XLogP1.41
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
(7-methoxy-1H-indol-2-yl)-methyl-methylidene-λ4-sulfane
CID 123990604
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
2-(2,5-difluoro-4-methoxyphenyl)piperazine
CID 116856206
2-methoxy-4-[(2S)-piperazin-2-yl]benzonitrile
CID 71272457
(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
N-ethyl-1-(7-methoxy-1H-indol-2-yl)ethanamine
CID 65332606
4,5-dimethoxy-2-[(2R)-piperazin-2-yl]benzoic acid
CID 165348809
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole?
The IUPAC name of 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole (CID 165356820) is 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole.
What is the SMILES notation for 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole?
The canonical SMILES for 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole is COc1cccc2cc([C@@H]3CNCCN3)[nH]c12.
What is the InChIKey of 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole?
The InChIKey is JMBJNFMTGIBNFN-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-12-4-2-3-9-7-10(16-13(9)12)11-8-14-5-6-15-11/h2-4,7,11,14-16H,5-6,8H2,1H3/t11-/m0/s1.
What are the key properties of 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole?
7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole has a molecular weight of 231.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(2S)-piperazin-2-yl]-1H-indole is sourced from PubChem (CID 165356820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).