2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol

C22H28N2O2 — CID 30675012

IUPAC2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cccc3c2oc2ccccc23)C[C@@H]1CCO
InChIInChI=1S/C22H28N2O2/c1-16(2)24-12-11-23(15-18(24)10-13-25)14-17-6-5-8-20-19-7-3-4-9-21(19)26-22(17)20/h3-9,16,18,25H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyIFRFVOYIUCUUKO-SFHVURJKSA-N
MW352.48 g/mol
LogP3.86
Rot. Bonds5

About 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 30675012) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID30675012
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cccc3c2oc2ccccc23)C[C@@H]1CCO
InChIInChI=1S/C22H28N2O2/c1-16(2)24-12-11-23(15-18(24)10-13-25)14-17-6-5-8-20-19-7-3-4-9-21(19)26-22(17)20/h3-9,16,18,25H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyIFRFVOYIUCUUKO-SFHVURJKSA-N
XLogP3.86
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
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2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98573073
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
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2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218
[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 15504357
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol (CID 30675012) is 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2cccc3c2oc2ccccc23)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is IFRFVOYIUCUUKO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)24-12-11-23(15-18(24)10-13-25)14-17-6-5-8-20-19-7-3-4-9-21(19)26-22(17)20/h3-9,16,18,25H,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 352.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 30675012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).