2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol

C20H31N3O — CID 45239360

IUPAC2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2c[nH]c3ccccc23)CC1CCO
InChIInChI=1S/C20H31N3O/c1-16(2)7-9-23-11-10-22(15-18(23)8-12-24)14-17-13-21-20-6-4-3-5-19(17)20/h3-6,13,16,18,21,24H,7-12,14-15H2,1-2H3
InChIKeyAZFUYQWOXPIEHM-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45239360) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45239360
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCC(C)CCN1CCN(Cc2c[nH]c3ccccc23)CC1CCO
InChIInChI=1S/C20H31N3O/c1-16(2)7-9-23-11-10-22(15-18(23)8-12-24)14-17-13-21-20-6-4-3-5-19(17)20/h3-6,13,16,18,21,24H,7-12,14-15H2,1-2H3
InChIKeyAZFUYQWOXPIEHM-UHFFFAOYSA-N
XLogP3.08
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98579746
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-2-yl]ethanol
CID 29151277
2-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 30673550
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45201049
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[(2S)-1-(3-methylbutyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
CID 30722484
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2R)-1-(3-methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 93233357
1-[3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-1-yl]methyl]phenyl]ethanone
CID 29029320
2-[4-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45204394
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45239360) is 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol is CC(C)CCN1CCN(Cc2c[nH]c3ccccc23)CC1CCO.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is AZFUYQWOXPIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)7-9-23-11-10-22(15-18(23)8-12-24)14-17-13-21-20-6-4-3-5-19(17)20/h3-6,13,16,18,21,24H,7-12,14-15H2,1-2H3.
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 329.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45239360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).