3-(piperazin-1-ylmethyl)-1H-indol-5-ol

C13H17N3O — CID 117174988

IUPAC3-(piperazin-1-ylmethyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CN3CCNCC3)c2c1
InChIInChI=1S/C13H17N3O/c17-11-1-2-13-12(7-11)10(8-15-13)9-16-5-3-14-4-6-16/h1-2,7-8,14-15,17H,3-6,9H2
InChIKeyGWNUTNKUXVJLKN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-1H-indol-5-ol

3-(piperazin-1-ylmethyl)-1H-indol-5-ol (PubChem CID 117174988) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1H-indol-5-ol
PubChem CID117174988
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(piperazin-1-ylmethyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CN3CCNCC3)c2c1
InChIInChI=1S/C13H17N3O/c17-11-1-2-13-12(7-11)10(8-15-13)9-16-5-3-14-4-6-16/h1-2,7-8,14-15,17H,3-6,9H2
InChIKeyGWNUTNKUXVJLKN-UHFFFAOYSA-N
XLogP1.28
TPSA51.29 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 ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
3-(piperidin-1-ylmethyl)-1H-indol-6-ol
CID 84693698
tert-butyl 4-[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-1-carboxylate
CID 145020472
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(piperazin-1-ylmethyl)-1-benzofuran-6-ol
CID 117177562
2-[[8-[(2,5-dihydroxyphenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzene-1,4-diol
CID 170349898
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
7-(1,4-diazepan-1-ylmethyl)-5H-[1,3]dioxolo[4,5-f]indole
CID 96679886
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174
6-nitro-3-(piperazin-1-ylmethyl)-1H-indole
CID 118993451

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1H-indol-5-ol?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1H-indol-5-ol (CID 117174988) is 3-(piperazin-1-ylmethyl)-1H-indol-5-ol.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1H-indol-5-ol?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1H-indol-5-ol is Oc1ccc2[nH]cc(CN3CCNCC3)c2c1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1H-indol-5-ol?
The InChIKey is GWNUTNKUXVJLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-11-1-2-13-12(7-11)10(8-15-13)9-16-5-3-14-4-6-16/h1-2,7-8,14-15,17H,3-6,9H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-1H-indol-5-ol?
3-(piperazin-1-ylmethyl)-1H-indol-5-ol has a molecular weight of 231.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1H-indol-5-ol is sourced from PubChem (CID 117174988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).