2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol

C22H27N3O2 — CID 16673456

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCOc1ccc(N2CCN(CC(O)c3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-23-15-20(19-5-3-4-6-21(19)23)22(26)16-24-11-13-25(14-12-24)17-7-9-18(27-2)10-8-17/h3-10,15,22,26H,11-14,16H2,1-2H3
InChIKeyYELZBQITRZYTKB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol (PubChem CID 16673456) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol
PubChem CID16673456
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol
SMILESCOc1ccc(N2CCN(CC(O)c3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-23-15-20(19-5-3-4-6-21(19)23)22(26)16-24-11-13-25(14-12-24)17-7-9-18(27-2)10-8-17/h3-10,15,22,26H,11-14,16H2,1-2H3
InChIKeyYELZBQITRZYTKB-UHFFFAOYSA-N
XLogP3.04
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol (CID 16673456) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol is COc1ccc(N2CCN(CC(O)c3cn(C)c4ccccc34)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol?
The InChIKey is YELZBQITRZYTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-15-20(19-5-3-4-6-21(19)23)22(26)16-24-11-13-25(14-12-24)17-7-9-18(27-2)10-8-17/h3-10,15,22,26H,11-14,16H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 16673456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).