phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol

C27H32N2O2 — CID 10788070

IUPACphenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1
InChIInChI=1S/C27H32N2O2/c1-21(2)31-26-14-7-6-13-25(26)29-17-15-28(16-18-29)20-22-9-8-12-24(19-22)27(30)23-10-4-3-5-11-23/h3-14,19,21,27,30H,15-18,20H2,1-2H3
InChIKeyDXKPKHZYFJOYGC-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.88
Rot. Bonds7

About phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol

phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 10788070) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Namephenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol
PubChem CID10788070
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Namephenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1
InChIInChI=1S/C27H32N2O2/c1-21(2)31-26-14-7-6-13-25(26)29-17-15-28(16-18-29)20-22-9-8-12-24(19-22)27(30)23-10-4-3-5-11-23/h3-14,19,21,27,30H,15-18,20H2,1-2H3
InChIKeyDXKPKHZYFJOYGC-UHFFFAOYSA-N
XLogP4.88
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol (CID 10788070) is phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol is CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(O)c3ccccc3)c2)CC1.
What is the InChIKey of phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is DXKPKHZYFJOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-21(2)31-26-14-7-6-13-25(26)29-17-15-28(16-18-29)20-22-9-8-12-24(19-22)27(30)23-10-4-3-5-11-23/h3-14,19,21,27,30H,15-18,20H2,1-2H3.
What are the key properties of phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol?
phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 416.57 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 10788070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).