2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol

C30H32N2O2 — CID 15288259

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
SMILESCc1cc(-c2ccccc2)oc1C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H32N2O2/c1-23-21-28(24-11-5-2-6-12-24)34-30(23)27(33)22-31-17-19-32(20-18-31)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,27,29,33H,17-20,22H2,1H3
InChIKeyRGKQUDPGAPWVBT-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.70
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol

2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol (PubChem CID 15288259) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
PubChem CID15288259
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
SMILESCc1cc(-c2ccccc2)oc1C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H32N2O2/c1-23-21-28(24-11-5-2-6-12-24)34-30(23)27(33)22-31-17-19-32(20-18-31)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,27,29,33H,17-20,22H2,1H3
InChIKeyRGKQUDPGAPWVBT-UHFFFAOYSA-N
XLogP5.70
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
CID 15288241
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 7689535
(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
CID 92764522
1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol dichloride
CID 21237413
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
2-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 10319822
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 51624788

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol (CID 15288259) is 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol is Cc1cc(-c2ccccc2)oc1C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol?
The InChIKey is RGKQUDPGAPWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-23-21-28(24-11-5-2-6-12-24)34-30(23)27(33)22-31-17-19-32(20-18-31)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,21,27,29,33H,17-20,22H2,1H3.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol?
2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol has a molecular weight of 452.60 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol is sourced from PubChem (CID 15288259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).