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

C22H30N2O2 — CID 10808061

IUPAC1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(C)O)c2)CC1
InChIInChI=1S/C22H30N2O2/c1-17(2)26-22-10-5-4-9-21(22)24-13-11-23(12-14-24)16-19-7-6-8-20(15-19)18(3)25/h4-10,15,17-18,25H,11-14,16H2,1-3H3
InChIKeySVCXFQYPKFXEAC-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.85
Rot. Bonds6

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

1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol (PubChem CID 10808061) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol
PubChem CID10808061
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(C)O)c2)CC1
InChIInChI=1S/C22H30N2O2/c1-17(2)26-22-10-5-4-9-21(22)24-13-11-23(12-14-24)16-19-7-6-8-20(15-19)18(3)25/h4-10,15,17-18,25H,11-14,16H2,1-3H3
InChIKeySVCXFQYPKFXEAC-UHFFFAOYSA-N
XLogP3.85
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol (CID 10808061) is 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol is CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(C)O)c2)CC1.
What is the InChIKey of 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol?
The InChIKey is SVCXFQYPKFXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)26-22-10-5-4-9-21(22)24-13-11-23(12-14-24)16-19-7-6-8-20(15-19)18(3)25/h4-10,15,17-18,25H,11-14,16H2,1-3H3.
What are the key properties of 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol?
1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol has a molecular weight of 354.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 10808061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).