2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C25H33N3O — CID 51901852

IUPAC2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]c2ccccc12
InChIInChI=1S/C25H33N3O/c1-20-23-11-5-6-12-24(23)26-25(20)19-27-15-16-28(22(18-27)13-17-29)14-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22,26,29H,7,10,13-19H2,1H3/t22-/m1/s1
InChIKeySZPNZSUBPOHKMU-JOCHJYFZSA-N
MW391.56 g/mol
LogP3.98
Rot. Bonds8

About 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 51901852) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID51901852
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCc1c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]c2ccccc12
InChIInChI=1S/C25H33N3O/c1-20-23-11-5-6-12-24(23)26-25(20)19-27-15-16-28(22(18-27)13-17-29)14-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22,26,29H,7,10,13-19H2,1H3/t22-/m1/s1
InChIKeySZPNZSUBPOHKMU-JOCHJYFZSA-N
XLogP3.98
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.98
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

2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
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2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
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CID 23723883
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CID 56707189
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
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4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 51906736
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 51901852) is 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is Cc1c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]c2ccccc12.
What is the InChIKey of 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is SZPNZSUBPOHKMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H33N3O/c1-20-23-11-5-6-12-24(23)26-25(20)19-27-15-16-28(22(18-27)13-17-29)14-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22,26,29H,7,10,13-19H2,1H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 391.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51901852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).