hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium

C19H23N4O+ — CID 143933193

IUPAChydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium
SMILESO[NH2+]c1cccc(CN2CCN(c3cccc4[nH]ccc34)CC2)c1
InChIInChI=1S/C19H22N4O/c24-21-16-4-1-3-15(13-16)14-22-9-11-23(12-10-22)19-6-2-5-18-17(19)7-8-20-18/h1-8,13,20-21,24H,9-12,14H2/p+1
InChIKeyZKZSIVIOESQTEB-UHFFFAOYSA-O
MW323.42 g/mol
LogP2.07
Rot. Bonds4

About hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium

hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium (PubChem CID 143933193) has the molecular formula C19H23N4O+ and a molecular weight of 323.42 g/mol. Its IUPAC name is hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium.

Molecular Properties

Compound Namehydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium
PubChem CID143933193
Molecular FormulaC19H23N4O+
Molecular Weight323.42 g/mol
Exact Mass323.19
IUPAC Namehydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium
SMILESO[NH2+]c1cccc(CN2CCN(c3cccc4[nH]ccc34)CC2)c1
InChIInChI=1S/C19H22N4O/c24-21-16-4-1-3-15(13-16)14-22-9-11-23(12-10-22)19-6-2-5-18-17(19)7-8-20-18/h1-8,13,20-21,24H,9-12,14H2/p+1
InChIKeyZKZSIVIOESQTEB-UHFFFAOYSA-O
XLogP2.07
TPSA59.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-phenyl-1H-indole
CID 139991042
4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole
CID 44625124
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-3-iodo-6-methoxy-1H-indole
CID 139991044
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
[2-[4-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-1H-indol-3-yl]phenyl]phenyl]methanol
CID 139991053
4-[4-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
CID 10294734
2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium?
The IUPAC name of hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium (CID 143933193) is hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium.
What is the SMILES notation for hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium?
The canonical SMILES for hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium is O[NH2+]c1cccc(CN2CCN(c3cccc4[nH]ccc34)CC2)c1.
What is the InChIKey of hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium?
The InChIKey is ZKZSIVIOESQTEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O/c24-21-16-4-1-3-15(13-16)14-22-9-11-23(12-10-22)19-6-2-5-18-17(19)7-8-20-18/h1-8,13,20-21,24H,9-12,14H2/p+1.
What are the key properties of hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium?
hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium has a molecular weight of 323.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]phenyl]azanium is sourced from PubChem (CID 143933193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).