2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C20H30ClN3O — CID 23723580

IUPAC2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(CC(C)C)C(CCO)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H30ClN3O/c1-14(2)11-24-8-7-23(12-17(24)6-9-25)13-20-15(3)18-10-16(21)4-5-19(18)22-20/h4-5,10,14,17,22,25H,6-9,11-13H2,1-3H3
InChIKeyBGLAGLJDATUVLB-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.65
Rot. Bonds6

About 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 23723580) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID23723580
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(CC(C)C)C(CCO)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H30ClN3O/c1-14(2)11-24-8-7-23(12-17(24)6-9-25)13-20-15(3)18-10-16(21)4-5-19(18)22-20/h4-5,10,14,17,22,25H,6-9,11-13H2,1-3H3
InChIKeyBGLAGLJDATUVLB-UHFFFAOYSA-N
XLogP3.65
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 23723580) is 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(CC(C)C)C(CCO)C2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is BGLAGLJDATUVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-14(2)11-24-8-7-23(12-17(24)6-9-25)13-20-15(3)18-10-16(21)4-5-19(18)22-20/h4-5,10,14,17,22,25H,6-9,11-13H2,1-3H3.
What are the key properties of 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 363.93 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).