[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol

C19H24N4O — CID 141011218

IUPAC[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol
SMILESOCc1ccc2[nH]cc(CCN3CCN(c4cc[nH]c4)CC3)c2c1
InChIInChI=1S/C19H24N4O/c24-14-15-1-2-19-18(11-15)16(12-21-19)4-6-22-7-9-23(10-8-22)17-3-5-20-13-17/h1-3,5,11-13,20-21,24H,4,6-10,14H2
InChIKeyFROMMZFNPZFRIF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.35
Rot. Bonds5

About [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol

[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol (PubChem CID 141011218) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol
PubChem CID141011218
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol
SMILESOCc1ccc2[nH]cc(CCN3CCN(c4cc[nH]c4)CC3)c2c1
InChIInChI=1S/C19H24N4O/c24-14-15-1-2-19-18(11-15)16(12-21-19)4-6-22-7-9-23(10-8-22)17-3-5-20-13-17/h1-3,5,11-13,20-21,24H,4,6-10,14H2
InChIKeyFROMMZFNPZFRIF-UHFFFAOYSA-N
XLogP2.35
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 19438845
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443

Frequently Asked Questions

What is the IUPAC name of [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol?
The IUPAC name of [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol (CID 141011218) is [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol.
What is the SMILES notation for [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol?
The canonical SMILES for [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol is OCc1ccc2[nH]cc(CCN3CCN(c4cc[nH]c4)CC3)c2c1.
What is the InChIKey of [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol?
The InChIKey is FROMMZFNPZFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-14-15-1-2-19-18(11-15)16(12-21-19)4-6-22-7-9-23(10-8-22)17-3-5-20-13-17/h1-3,5,11-13,20-21,24H,4,6-10,14H2.
What are the key properties of [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol?
[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol has a molecular weight of 324.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol is sourced from PubChem (CID 141011218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).