2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

C22H33N3O2 — CID 23723648

IUPAC2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCOc1ccc2[nH]c(CN3CCN(CC=C(C)C)C(CCO)C3)c(C)c2c1
InChIInChI=1S/C22H33N3O2/c1-16(2)7-9-25-11-10-24(14-18(25)8-12-26)15-22-17(3)20-13-19(27-4)5-6-21(20)23-22/h5-7,13,18,23,26H,8-12,14-15H2,1-4H3
InChIKeyPSOUVZMYISHQPR-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.32
Rot. Bonds7

About 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol

2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (PubChem CID 23723648) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
PubChem CID23723648
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
SMILESCOc1ccc2[nH]c(CN3CCN(CC=C(C)C)C(CCO)C3)c(C)c2c1
InChIInChI=1S/C22H33N3O2/c1-16(2)7-9-25-11-10-24(14-18(25)8-12-26)15-22-17(3)20-13-19(27-4)5-6-21(20)23-22/h5-7,13,18,23,26H,8-12,14-15H2,1-4H3
InChIKeyPSOUVZMYISHQPR-UHFFFAOYSA-N
XLogP3.32
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 3564
CID 3564
CID 1833
CID 1833
CID 71739
CID 71739
CID 197060
CID 197060
CID 1832
CID 1832
CID 6433099
CID 6433099
CID 68713
CID 68713
CID 4640
CID 4640
CID 151182
CID 151182
CID 108029
CID 108029
CID 115348
CID 115348
CID 1868
CID 1868

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol (CID 23723648) is 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is COc1ccc2[nH]c(CN3CCN(CC=C(C)C)C(CCO)C3)c(C)c2c1.
What is the InChIKey of 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
The InChIKey is PSOUVZMYISHQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)7-9-25-11-10-24(14-18(25)8-12-26)15-22-17(3)20-13-19(27-4)5-6-21(20)23-22/h5-7,13,18,23,26H,8-12,14-15H2,1-4H3.
What are the key properties of 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol?
2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol has a molecular weight of 371.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).