[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol

C20H23N3O — CID 171342762

IUPAC[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-15-20-18(17-8-4-5-9-19(17)21-20)14-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,21,24H,10-15H2
InChIKeyRTNHENHQSIAEAI-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.98
Rot. Bonds4

About [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol

[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol (PubChem CID 171342762) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol
PubChem CID171342762
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-15-20-18(17-8-4-5-9-19(17)21-20)14-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,21,24H,10-15H2
InChIKeyRTNHENHQSIAEAI-UHFFFAOYSA-N
XLogP2.98
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Flutroline
CID 51174
Pyridindolol
CID 5358591
3-Hydroxymethyl-beta-carboline
CID 5353338
5-fluoro-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779796
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2-(2-(5-Ethenyl-1-Azabicyclo(2.2.2)Octan-2-Yl)-1H-Indol-3-Yl)Ethanol
CID 521233
Cordysinin C/D
CID 10899924
(1H-indol-2-yl)methanol
CID 98783
[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 5387929
2-[6-(1-Hydroxycyclohexyl)pyridin-2-Yl]-1h-Indole-5-Carboximidamide
CID 121232387
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761

Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol?
The IUPAC name of [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol (CID 171342762) is [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol?
The canonical SMILES for [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol is OCc1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol?
The InChIKey is RTNHENHQSIAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-15-20-18(17-8-4-5-9-19(17)21-20)14-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,21,24H,10-15H2.
What are the key properties of [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol?
[3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol has a molecular weight of 321.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenylpiperazin-1-yl)methyl]-1H-indol-2-yl]methanol is sourced from PubChem (CID 171342762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).